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

C16H22N2O3 — CID 106974808

IUPAC4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
SMILESCCCC1(C(=O)NCc2ccc(C(=O)O)cc2)CCCN1
InChIInChI=1S/C16H22N2O3/c1-2-8-16(9-3-10-18-16)15(21)17-11-12-4-6-13(7-5-12)14(19)20/h4-7,18H,2-3,8-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFRROSKXJULCMNN-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.92
Rot. Bonds6

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

4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid (PubChem CID 106974808) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
PubChem CID106974808
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
SMILESCCCC1(C(=O)NCc2ccc(C(=O)O)cc2)CCCN1
InChIInChI=1S/C16H22N2O3/c1-2-8-16(9-3-10-18-16)15(21)17-11-12-4-6-13(7-5-12)14(19)20/h4-7,18H,2-3,8-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFRROSKXJULCMNN-UHFFFAOYSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974072
N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974506
4-[[(2-methylpiperidine-2-carbonyl)amino]methyl]benzoic acid
CID 104596566
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974307
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945
N-(4-carbamoylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974031
N-(2-hydroxy-2-phenylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974225
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
methyl 4-[(2-propylpyrrolidine-2-carbonyl)amino]benzoate
CID 106974927
N-[4-(methylcarbamoyl)phenyl]-2-propylpyrrolidine-2-carboxamide
CID 106974366
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106371523

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid (CID 106974808) is 4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid is CCCC1(C(=O)NCc2ccc(C(=O)O)cc2)CCCN1.
What is the InChIKey of 4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid?
The InChIKey is FRROSKXJULCMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-8-16(9-3-10-18-16)15(21)17-11-12-4-6-13(7-5-12)14(19)20/h4-7,18H,2-3,8-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid?
4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 106974808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).