2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid

C13H16N2O4 — CID 61213078

IUPAC2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCOC1CNC(C(=O)Nc2ccccc2C(=O)O)C1
InChIInChI=1S/C13H16N2O4/c1-19-8-6-11(14-7-8)12(16)15-10-5-3-2-4-9(10)13(17)18/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyJBNOTELTSGGJGC-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.70
Rot. Bonds4

About 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid

2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid (PubChem CID 61213078) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
PubChem CID61213078
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCOC1CNC(C(=O)Nc2ccccc2C(=O)O)C1
InChIInChI=1S/C13H16N2O4/c1-19-8-6-11(14-7-8)12(16)15-10-5-3-2-4-9(10)13(17)18/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyJBNOTELTSGGJGC-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213314
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 61214477
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 107273646
2,4-difluoro-5-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213171
4-methoxy-N-(2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61214182
N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214081
4-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 61215202
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213324
N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214618

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid (CID 61213078) is 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid is COC1CNC(C(=O)Nc2ccccc2C(=O)O)C1.
What is the InChIKey of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid?
The InChIKey is JBNOTELTSGGJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-8-6-11(14-7-8)12(16)15-10-5-3-2-4-9(10)13(17)18/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid?
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61213078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).