(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid

C23H21NO4 — CID 7010375

IUPAC(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
SMILESO=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C23H21NO4/c25-22(26)21(24-23(27)28-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyZZIBVIHXEMIHEQ-NRFANRHFSA-N
MW375.42 g/mol
LogP4.28
Rot. Bonds7

About (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid

(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid (PubChem CID 7010375) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
PubChem CID7010375
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
SMILESO=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)OCc1ccccc1
InChIInChI=1S/C23H21NO4/c25-22(26)21(24-23(27)28-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,24,27)(H,25,26)/t21-/m0/s1
InChIKeyZZIBVIHXEMIHEQ-NRFANRHFSA-N
XLogP4.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid 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-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309274
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
ethane;2-[[4-(methoxymethyl)phenyl]methoxycarbonylamino]-3-phenylpropanoic acid
CID 90811046
3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309263
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid;prop-2-enylazanide
CID 131718648
(2S)-3-[4-[3-(carbamoylamino)phenyl]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 59901422
(2S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
CID 18601092
(2R)-2-(phenylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
CID 91872585
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
(2R)-2-[[(2R)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 78319243
2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 13488140
(2S)-3-(4-ethoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 10736143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid (CID 7010375) is (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid is O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid?
The InChIKey is ZZIBVIHXEMIHEQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21NO4/c25-22(26)21(24-23(27)28-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)19-9-5-2-6-10-19/h1-14,21H,15-16H2,(H,24,27)(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid?
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid has a molecular weight of 375.42 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 7010375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).