2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid

C13H16N2O4 — CID 63141374

IUPAC2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2ccc(C(=O)O)c(O)c2)CCNC1
InChIInChI=1S/C13H16N2O4/c1-13(4-5-14-7-13)12(19)15-8-2-3-9(11(17)18)10(16)6-8/h2-3,6,14,16H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyBKVAFIGDORIQOQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.03
Rot. Bonds3

About 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid

2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid (PubChem CID 63141374) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
PubChem CID63141374
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2ccc(C(=O)O)c(O)c2)CCNC1
InChIInChI=1S/C13H16N2O4/c1-13(4-5-14-7-13)12(19)15-8-2-3-9(11(17)18)10(16)6-8/h2-3,6,14,16H,4-5,7H2,1H3,(H,15,19)(H,17,18)
InChIKeyBKVAFIGDORIQOQ-UHFFFAOYSA-N
XLogP1.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707
3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 79240444
(E)-3-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342383
2-methyl-2-[4-[(3-methylpyrrolidine-3-carbonyl)amino]phenyl]propanoic acid
CID 80549555
N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119700277
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-methylpyrrolidine-3-carboxamide
CID 63139280
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63139755

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid (CID 63141374) is 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid is CC1(C(=O)Nc2ccc(C(=O)O)c(O)c2)CCNC1.
What is the InChIKey of 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid?
The InChIKey is BKVAFIGDORIQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(4-5-14-7-13)12(19)15-8-2-3-9(11(17)18)10(16)6-8/h2-3,6,14,16H,4-5,7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid?
2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63141374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).