4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid

C17H22N2O3 — CID 122019573

IUPAC4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCCC2C2CCC2)cc1
InChIInChI=1S/C17H22N2O3/c20-16(21)14-8-6-12(7-9-14)11-18-17(22)19-10-2-5-15(19)13-3-1-4-13/h6-9,13,15H,1-5,10-11H2,(H,18,22)(H,20,21)
InChIKeySNZWWEMBNUDMJX-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.86
Rot. Bonds4

About 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid

4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid (PubChem CID 122019573) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
PubChem CID122019573
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)N2CCCC2C2CCC2)cc1
InChIInChI=1S/C17H22N2O3/c20-16(21)14-8-6-12(7-9-14)11-18-17(22)19-10-2-5-15(19)13-3-1-4-13/h6-9,13,15H,1-5,10-11H2,(H,18,22)(H,20,21)
InChIKeySNZWWEMBNUDMJX-UHFFFAOYSA-N
XLogP2.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid with MolForge

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Related Compounds

4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)benzoic acid
CID 65319992
4-[[[2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019638
4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
CID 124701022
4-[[[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020325
2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 71884444
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
4-[[[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020978
4-[[(3-aminopiperidine-1-carbonyl)amino]methyl]benzoic acid
CID 61403953
4-[[(2-cyclohexylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 122020818
2-cyclopentyl-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]pyrrolidine-1-carboxamide
CID 146105715
N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide
CID 136525157
2-cyclopentyl-N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 87036335

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid (CID 122019573) is 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)N2CCCC2C2CCC2)cc1.
What is the InChIKey of 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid?
The InChIKey is SNZWWEMBNUDMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-16(21)14-8-6-12(7-9-14)11-18-17(22)19-10-2-5-15(19)13-3-1-4-13/h6-9,13,15H,1-5,10-11H2,(H,18,22)(H,20,21).
What are the key properties of 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid?
4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid has a molecular weight of 302.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 122019573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).