2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid

C12H14N2O4 — CID 61189115

IUPAC2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCCC2)cc1O
InChIInChI=1S/C12H14N2O4/c15-10-7-8(3-4-9(10)11(16)17)13-12(18)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6H2,(H,13,18)(H,16,17)
InChIKeyCXXPNBMCJHXJQD-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.72
Rot. Bonds2

About 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid

2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid (PubChem CID 61189115) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
PubChem CID61189115
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCCC2)cc1O
InChIInChI=1S/C12H14N2O4/c15-10-7-8(3-4-9(10)11(16)17)13-12(18)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6H2,(H,13,18)(H,16,17)
InChIKeyCXXPNBMCJHXJQD-UHFFFAOYSA-N
XLogP1.72
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide
CID 79155981
2-methyl-5-(pyrrolidine-1-carbonylamino)benzoic acid
CID 63654397
5-(azocane-1-carbonylamino)-2-bromobenzoic acid
CID 115296680
2-methyl-5-(piperidine-1-carbonylamino)benzoic acid
CID 63653011
2-bromo-5-(piperidine-1-carbonylamino)benzoic acid
CID 115295940
2-hydroxy-4-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 103357278
4-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]-2-hydroxybenzoic acid
CID 62061522
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 63218632
N-[4-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]azepane-1-carboxamide
CID 56569590
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 61207094
N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide
CID 56569494

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid?
The IUPAC name of 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid (CID 61189115) is 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid is O=C(O)c1ccc(NC(=O)N2CCCC2)cc1O.
What is the InChIKey of 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid?
The InChIKey is CXXPNBMCJHXJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-7-8(3-4-9(10)11(16)17)13-12(18)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6H2,(H,13,18)(H,16,17).
What are the key properties of 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid?
2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid has a molecular weight of 250.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid is sourced from PubChem (CID 61189115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).