2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid

C18H16N2O5 — CID 3146264

IUPAC2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1O
InChIInChI=1S/C18H16N2O5/c21-15-9-12(6-7-14(15)18(24)25)19-17(23)11-8-16(22)20(10-11)13-4-2-1-3-5-13/h1-7,9,11,21H,8,10H2,(H,19,23)(H,24,25)
InChIKeyMMGOVWPMCVIZTN-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.08
Rot. Bonds4

About 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid

2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid (PubChem CID 3146264) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid
PubChem CID3146264
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1O
InChIInChI=1S/C18H16N2O5/c21-15-9-12(6-7-14(15)18(24)25)19-17(23)11-8-16(22)20(10-11)13-4-2-1-3-5-13/h1-7,9,11,21H,8,10H2,(H,19,23)(H,24,25)
InChIKeyMMGOVWPMCVIZTN-UHFFFAOYSA-N
XLogP2.08
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
(3S)-5-oxo-1-phenyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 40500966
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723
(3R)-N-(3,5-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350735
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
N-(3-ethynylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46446482
(3S)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1341038
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid (CID 3146264) is 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1O.
What is the InChIKey of 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid?
The InChIKey is MMGOVWPMCVIZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c21-15-9-12(6-7-14(15)18(24)25)19-17(23)11-8-16(22)20(10-11)13-4-2-1-3-5-13/h1-7,9,11,21H,8,10H2,(H,19,23)(H,24,25).
What are the key properties of 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid?
2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid has a molecular weight of 340.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 3146264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).