5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid

C14H18N2O3 — CID 102778964

IUPAC5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)C2NCCC2C)c(C(=O)O)c1
InChIInChI=1S/C14H18N2O3/c1-8-3-4-11(10(7-8)14(18)19)16-13(17)12-9(2)5-6-15-12/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMTXNDIHUXXTDDK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.63
Rot. Bonds3

About 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid

5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid (PubChem CID 102778964) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
PubChem CID102778964
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)C2NCCC2C)c(C(=O)O)c1
InChIInChI=1S/C14H18N2O3/c1-8-3-4-11(10(7-8)14(18)19)16-13(17)12-9(2)5-6-15-12/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMTXNDIHUXXTDDK-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067304
5-iodo-2-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107068158
3-methyl-N-(4-methyl-2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 102778369
3-fluoro-4-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779420
N-(4-carbamoyl-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777919
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861
5-methyl-2-(thiane-4-carbonylamino)benzoic acid
CID 120537831
N-(5-acetamido-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777565
N-(2-bromo-4-chlorophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779794
5-methyl-2-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)benzoic acid
CID 104539531
5-methyl-2-(oxane-3-carbonylamino)benzoic acid
CID 62761030
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid (CID 102778964) is 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid is Cc1ccc(NC(=O)C2NCCC2C)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid?
The InChIKey is MTXNDIHUXXTDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-3-4-11(10(7-8)14(18)19)16-13(17)12-9(2)5-6-15-12/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid?
5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 102778964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).