(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid

C12H16N2O4 — CID 57295960

IUPAC(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
SMILESNCCC[C@@H](NC(=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O4/c13-8-4-7-10(11(15)16)14-12(17)18-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeySNMMNLQSOZCXJM-SNVBAGLBSA-N
MW252.27 g/mol
LogP0.97
Rot. Bonds6

About (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid

(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid (PubChem CID 57295960) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
PubChem CID57295960
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid
SMILESNCCC[C@@H](NC(=O)Oc1ccccc1)C(=O)O
InChIInChI=1S/C12H16N2O4/c13-8-4-7-10(11(15)16)14-12(17)18-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKeySNMMNLQSOZCXJM-SNVBAGLBSA-N
XLogP0.97
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-(diaminomethylideneamino)-2-(phenoxycarbonylamino)pentanoic acid
CID 146472259
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909
(2S)-6-amino-2-[(4-azidophenoxy)carbonylamino]hexanoic acid
CID 175456297
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 10819296
(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenoxycarbonylamino)hexanoic acid
CID 10981399
(2S)-5-(ethylamino)-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 176911525
(2S)-6-amino-2-(phenoxyamino)hexanoic acid
CID 20593385
methyl 3-hydroxy-2-(phenoxycarbonylamino)propanoate
CID 43407067
5-fluoro-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18466026
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
phenyl N-[1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 171980527
5-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 14075005

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid?
The IUPAC name of (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid (CID 57295960) is (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid is NCCC[C@@H](NC(=O)Oc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid?
The InChIKey is SNMMNLQSOZCXJM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O4/c13-8-4-7-10(11(15)16)14-12(17)18-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,13H2,(H,14,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid?
(2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(phenoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 57295960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).