(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate

C18H18NO4- — CID 7010615

IUPAC(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)[O-])OCc1ccccc1
InChIInChI=1S/C18H19NO4/c20-17(21)16(12-11-14-7-3-1-4-8-14)19-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/p-1/t16-/m0/s1
InChIKeyGUWSQYJXSRIJCI-INIZCTEOSA-M
MW312.35 g/mol
LogP1.66
Rot. Bonds7

About (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate

(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate (PubChem CID 7010615) has the molecular formula C18H18NO4- and a molecular weight of 312.35 g/mol. Its IUPAC name is (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate.

Molecular Properties

Compound Name(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate
PubChem CID7010615
Molecular FormulaC18H18NO4-
Molecular Weight312.35 g/mol
Exact Mass312.12
IUPAC Name(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate
SMILESO=C(N[C@@H](CCc1ccccc1)C(=O)[O-])OCc1ccccc1
InChIInChI=1S/C18H19NO4/c20-17(21)16(12-11-14-7-3-1-4-8-14)19-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/p-1/t16-/m0/s1
InChIKeyGUWSQYJXSRIJCI-INIZCTEOSA-M
XLogP1.66
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoate
CID 53448599
sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 23678665
benzyl N-(1-chloro-2-oxo-5-phenylpentan-3-yl)carbamate
CID 114929890
benzyl N-(1-bromo-2-oxo-5-phenylpentan-3-yl)carbamate
CID 114929893
(2R)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 7020253
(2R)-2-(phenylmethoxycarbonylamino)-3-phenylmethoxycarbonylsulfanylpropanoate
CID 7021868
(2S)-2-acetamido-4-phenylbutanoate
CID 86308206
(3S)-4-[[(1S)-1-carboxylato-3-methylsulfanylpropyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 7408643
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
(2S)-4-aminooxy-2-(phenylmethoxycarbonylamino)butanoic acid
CID 165477509
benzyl N-[(2R)-1-amino-2-hydroxy-4-phenylbutyl]carbamate
CID 56996199

Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate?
The IUPAC name of (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate (CID 7010615) is (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate.
What is the SMILES notation for (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate?
The canonical SMILES for (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate is O=C(N[C@@H](CCc1ccccc1)C(=O)[O-])OCc1ccccc1.
What is the InChIKey of (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate?
The InChIKey is GUWSQYJXSRIJCI-INIZCTEOSA-M. The full InChI is InChI=1S/C18H19NO4/c20-17(21)16(12-11-14-7-3-1-4-8-14)19-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)/p-1/t16-/m0/s1.
What are the key properties of (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate?
(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate has a molecular weight of 312.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoate is sourced from PubChem (CID 7010615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).