3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

C18H18N2O5 — CID 22309263

IUPAC3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESNC(=O)c1ccc(CC(NC(=O)OCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C18H18N2O5/c19-16(21)14-8-6-12(7-9-14)10-15(17(22)23)20-18(24)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H2,19,21)(H,20,24)(H,22,23)
InChIKeyUVIAOAFSKDDWPF-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.71
Rot. Bonds7

About 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid

3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 22309263) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID22309263
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESNC(=O)c1ccc(CC(NC(=O)OCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C18H18N2O5/c19-16(21)14-8-6-12(7-9-14)10-15(17(22)23)20-18(24)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H2,19,21)(H,20,24)(H,22,23)
InChIKeyUVIAOAFSKDDWPF-UHFFFAOYSA-N
XLogP1.71
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)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)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
(2S)-3-(4-aminophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309274
ethane;2-[[4-(methoxymethyl)phenyl]methoxycarbonylamino]-3-phenylpropanoic acid
CID 90811046
(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 N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
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
3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 3568465

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid (CID 22309263) is 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid is NC(=O)c1ccc(CC(NC(=O)OCc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is UVIAOAFSKDDWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c19-16(21)14-8-6-12(7-9-14)10-15(17(22)23)20-18(24)25-11-13-4-2-1-3-5-13/h1-9,15H,10-11H2,(H2,19,21)(H,20,24)(H,22,23).
What are the key properties of 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid?
3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 342.35 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 22309263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).