4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid

C13H16N2O4 — CID 103871126

IUPAC4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)[C@H]2CCCN2)c1
InChIInChI=1S/C13H16N2O4/c1-19-8-4-5-9(13(17)18)11(7-8)15-12(16)10-3-2-6-14-10/h4-5,7,10,14H,2-3,6H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyNWLABHYZLKELME-SNVBAGLBSA-N
MW264.28 g/mol
LogP1.08
Rot. Bonds4

About 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid

4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid (PubChem CID 103871126) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
PubChem CID103871126
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)[C@H]2CCCN2)c1
InChIInChI=1S/C13H16N2O4/c1-19-8-4-5-9(13(17)18)11(7-8)15-12(16)10-3-2-6-14-10/h4-5,7,10,14H,2-3,6H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyNWLABHYZLKELME-SNVBAGLBSA-N
XLogP1.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
2-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411626
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 167828177
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114424357
2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 115411606
5-chloro-2-(pyrrolidine-2-carbonylamino)benzoic acid
CID 61157828
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid?
The IUPAC name of 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid (CID 103871126) is 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid is COc1ccc(C(=O)O)c(NC(=O)[C@H]2CCCN2)c1.
What is the InChIKey of 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid?
The InChIKey is NWLABHYZLKELME-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-8-4-5-9(13(17)18)11(7-8)15-12(16)10-3-2-6-14-10/h4-5,7,10,14H,2-3,6H2,1H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid?
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 103871126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).