4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid

C14H18N2O4 — CID 61207094

IUPAC4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCC1CCCN1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H18N2O4/c1-2-10-4-3-7-16(10)14(20)15-9-5-6-11(13(18)19)12(17)8-9/h5-6,8,10,17H,2-4,7H2,1H3,(H,15,20)(H,18,19)
InChIKeyMXQVQTKZJBUHEV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.50
Rot. Bonds3

About 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid

4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 61207094) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID61207094
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCC1CCCN1C(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H18N2O4/c1-2-10-4-3-7-16(10)14(20)15-9-5-6-11(13(18)19)12(17)8-9/h5-6,8,10,17H,2-4,7H2,1H3,(H,15,20)(H,18,19)
InChIKeyMXQVQTKZJBUHEV-UHFFFAOYSA-N
XLogP2.50
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic 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

(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 61189115
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 61194740
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 176940437
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
2-ethyl-N-[3-[1-(ethylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61340887
4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 97291407
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen
CID 176940436

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid (CID 61207094) is 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid is CCC1CCCN1C(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is MXQVQTKZJBUHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-10-4-3-7-16(10)14(20)15-9-5-6-11(13(18)19)12(17)8-9/h5-6,8,10,17H,2-4,7H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 61207094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).