4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate

C20H19N2O4- — CID 9004705

IUPAC4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate
SMILESC[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O
InChIInChI=1S/C20H20N2O4/c1-13(14-5-3-2-4-6-14)22-12-16(11-18(22)23)19(24)21-17-9-7-15(8-10-17)20(25)26/h2-10,13,16H,11-12H2,1H3,(H,21,24)(H,25,26)/p-1/t13-,16+/m0/s1
InChIKeyOGFTVYFCXJWUGJ-XJKSGUPXSA-M
MW351.38 g/mol
LogP1.60
Rot. Bonds5

About 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate

4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 9004705) has the molecular formula C20H19N2O4- and a molecular weight of 351.38 g/mol. Its IUPAC name is 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Name4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate
PubChem CID9004705
Molecular FormulaC20H19N2O4-
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate
SMILESC[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O
InChIInChI=1S/C20H20N2O4/c1-13(14-5-3-2-4-6-14)22-12-16(11-18(22)23)19(24)21-17-9-7-15(8-10-17)20(25)26/h2-10,13,16H,11-12H2,1H3,(H,21,24)(H,25,26)/p-1/t13-,16+/m0/s1
InChIKeyOGFTVYFCXJWUGJ-XJKSGUPXSA-M
XLogP1.60
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate 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

(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
N-(4-chlorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 2964380
(3R)-5-oxo-N-(4-phenoxyphenyl)-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 124523029
ethyl 4-[[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 84899004
(3S)-N-(3-methylphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004758
(3S)-N-(4-bromo-3-chlorophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1218744
(3S)-N-(4-methyl-3-nitrophenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004794
(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1260369
(3S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 41184848
(3S)-N-(2-ethylphenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 8570864
(3R)-5-oxo-1-[(1R)-1-phenylethyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 94480588
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate (CID 9004705) is 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate is C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC1=O.
What is the InChIKey of 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is OGFTVYFCXJWUGJ-XJKSGUPXSA-M. The full InChI is InChI=1S/C20H20N2O4/c1-13(14-5-3-2-4-6-14)22-12-16(11-18(22)23)19(24)21-17-9-7-15(8-10-17)20(25)26/h2-10,13,16H,11-12H2,1H3,(H,21,24)(H,25,26)/p-1/t13-,16+/m0/s1.
What are the key properties of 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate?
4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 351.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 9004705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).