2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid

C12H12N2O5 — CID 114039518

IUPAC2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
SMILESO=C1CC[C@@H](C(=O)Nc2cccc(C(=O)O)c2O)N1
InChIInChI=1S/C12H12N2O5/c15-9-5-4-8(13-9)11(17)14-7-3-1-2-6(10(7)16)12(18)19/h1-3,8,16H,4-5H2,(H,13,15)(H,14,17)(H,18,19)/t8-/m0/s1
InChIKeyYOWRCXLMVMHGJZ-QMMMGPOBSA-N
MW264.24 g/mol
LogP0.31
Rot. Bonds3

About 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid

2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid (PubChem CID 114039518) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
PubChem CID114039518
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
SMILESO=C1CC[C@@H](C(=O)Nc2cccc(C(=O)O)c2O)N1
InChIInChI=1S/C12H12N2O5/c15-9-5-4-8(13-9)11(17)14-7-3-1-2-6(10(7)16)12(18)19/h1-3,8,16H,4-5H2,(H,13,15)(H,14,17)(H,18,19)/t8-/m0/s1
InChIKeyYOWRCXLMVMHGJZ-QMMMGPOBSA-N
XLogP0.31
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
CID 104832805
5-iodo-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 55178259
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114039454
2-hydroxy-3-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 104833710
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512
6-[(5-oxopyrrolidine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55248158
5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016
(2R)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxamide
CID 103806790
4-nitro-2-[(5-oxopyrrolidine-2-carbonyl)amino]benzoic acid
CID 63110780
3-fluoro-4-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871800
(2R)-N-(3,5-dichloro-2-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 103891199

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid (CID 114039518) is 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid is O=C1CC[C@@H](C(=O)Nc2cccc(C(=O)O)c2O)N1.
What is the InChIKey of 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid?
The InChIKey is YOWRCXLMVMHGJZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N2O5/c15-9-5-4-8(13-9)11(17)14-7-3-1-2-6(10(7)16)12(18)19/h1-3,8,16H,4-5H2,(H,13,15)(H,14,17)(H,18,19)/t8-/m0/s1.
What are the key properties of 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid?
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid has a molecular weight of 264.24 g/mol, XLogP of 0.31, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 114039518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).