InChI=1/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1/i15+1

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Inherent Properties, Identifiers and References

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ChemSpider ID:	8576139
Empirical Formula:	C₁₄H₁₉¹⁵NO₄
Molecular Weight:	266.2984
Nominal Mass:	266 Da
Average Mass:	266.2984 Da
Monoisotopic Mass:	266.128443 Da

Quick Links: Permalink Similar Isomers

Systematic Name:

(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid

SMILES:

InChI:

InChI=1/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1/i15+1

InChIKey:

ZYJPUMXJBDHSIF-ATIMDCQMFN

Details...

Associated Data Sources and Commercial Suppliers

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Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Boc-Phe-OH-15N

L-Phenylalanine-15N, N-t-Boc derivative

N-(tert-Butoxycarbonyl)-L-phenylalanine-15N

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(Details...)

Predicted Properties

LogP:	XLogP: 0.40	# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:		#H bond donors:
#Freely Rotating Bonds:		Polar Surface Area:	Å²
Index of Refraction:	1.528	Molar Refractivity:	70.45 cm³
Molar Volume:	228.6 cm³	Polarizability:	27.93 10^-24cm³
Surface Tension:	44.2 dyne/cm	Density:	1.16 g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

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