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

C13H16N2O4 — CID 113304995

IUPAC4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)N2CCCC2)c1
InChIInChI=1S/C13H16N2O4/c1-19-9-4-5-10(12(16)17)11(8-9)14-13(18)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyYGEXOGWYLCKNCE-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.02
Rot. Bonds3

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

4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid (PubChem CID 113304995) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
PubChem CID113304995
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)N2CCCC2)c1
InChIInChI=1S/C13H16N2O4/c1-19-9-4-5-10(12(16)17)11(8-9)14-13(18)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyYGEXOGWYLCKNCE-UHFFFAOYSA-N
XLogP2.02
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115411987
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-methoxybenzoic acid
CID 115412224
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
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N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
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N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
2-(azocane-1-carbonylamino)-4-chlorobenzoic acid
CID 61200042
2-(azocane-1-carbonylamino)-4-fluorobenzoic acid
CID 61200169
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687
4-methoxy-2-[(3-methylthiomorpholine-4-carbonyl)amino]benzoic acid
CID 115412284
2-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
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2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid?
The IUPAC name of 4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid (CID 113304995) is 4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid?
The canonical SMILES for 4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid is COc1ccc(C(=O)O)c(NC(=O)N2CCCC2)c1.
What is the InChIKey of 4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid?
The InChIKey is YGEXOGWYLCKNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-9-4-5-10(12(16)17)11(8-9)14-13(18)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid?
4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid has a molecular weight of 264.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid is sourced from PubChem (CID 113304995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).