4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid

C14H18N2O3 — CID 61187481

IUPAC4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O3/c1-15(14(19)16-8-2-3-9-16)10-11-4-6-12(7-5-11)13(17)18/h4-7H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyCGEFZRFWEJKZFN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.03
Rot. Bonds3

About 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid

4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid (PubChem CID 61187481) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
PubChem CID61187481
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)C(=O)N1CCCC1
InChIInChI=1S/C14H18N2O3/c1-15(14(19)16-8-2-3-9-16)10-11-4-6-12(7-5-11)13(17)18/h4-7H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyCGEFZRFWEJKZFN-UHFFFAOYSA-N
XLogP2.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[azepane-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 61188179
4-[[methyl(piperazine-1-carbonyl)amino]methyl]benzoic acid
CID 61405190
4-[[(4-aminopiperidine-1-carbonyl)-methylamino]methyl]benzoic acid
CID 61402615
N-[[4-(aminomethyl)phenyl]methyl]-N-methylazepane-1-carboxamide
CID 79152363
4-[[3,6-dihydro-2H-pyridine-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 114411559
4-[[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzoic acid
CID 60977939
4-[methyl(pyrrolidine-1-carbonyl)amino]benzoic acid
CID 104698233
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-N-methylpyrrolidine-1-carboxamide
CID 79161452
4-[[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]methyl]benzoic acid
CID 54886018
4-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzoic acid
CID 60977930
4-[[carbamoyl(methyl)amino]methyl]benzoic acid
CID 23550089
(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid (CID 61187481) is 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)C(=O)N1CCCC1.
What is the InChIKey of 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid?
The InChIKey is CGEFZRFWEJKZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(14(19)16-8-2-3-9-16)10-11-4-6-12(7-5-11)13(17)18/h4-7H,2-3,8-10H2,1H3,(H,17,18).
What are the key properties of 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid?
4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(pyrrolidine-1-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 61187481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).