(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid

C19H18N2O4 — CID 95121101

IUPAC(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(Cc1ccccc1)Nc1cccc(N2C[C@@H](C(=O)O)CC2=O)c1
InChIInChI=1S/C19H18N2O4/c22-17(9-13-5-2-1-3-6-13)20-15-7-4-8-16(11-15)21-12-14(19(24)25)10-18(21)23/h1-8,11,14H,9-10,12H2,(H,20,22)(H,24,25)/t14-/m0/s1
InChIKeyUGCCCONACBZJOG-AWEZNQCLSA-N
MW338.36 g/mol
LogP2.31
Rot. Bonds5

About (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid

(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 95121101) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid
PubChem CID95121101
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(Cc1ccccc1)Nc1cccc(N2C[C@@H](C(=O)O)CC2=O)c1
InChIInChI=1S/C19H18N2O4/c22-17(9-13-5-2-1-3-6-13)20-15-7-4-8-16(11-15)21-12-14(19(24)25)10-18(21)23/h1-8,11,14H,9-10,12H2,(H,20,22)(H,24,25)/t14-/m0/s1
InChIKeyUGCCCONACBZJOG-AWEZNQCLSA-N
XLogP2.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
CID 50874012
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride
CID 94076327
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
N-(3-ethylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46687180
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43970943
(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 94076368
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971138
(3S)-1-(3-acetamidophenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727013

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid (CID 95121101) is (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid is O=C(Cc1ccccc1)Nc1cccc(N2C[C@@H](C(=O)O)CC2=O)c1.
What is the InChIKey of (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UGCCCONACBZJOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-17(9-13-5-2-1-3-6-13)20-15-7-4-8-16(11-15)21-12-14(19(24)25)10-18(21)23/h1-8,11,14H,9-10,12H2,(H,20,22)(H,24,25)/t14-/m0/s1.
What are the key properties of (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid?
(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95121101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).