3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid

C14H18N2O4 — CID 104833695

IUPAC3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCC1(C)CCCN1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C14H18N2O4/c1-14(2)7-4-8-16(14)13(20)15-10-6-3-5-9(11(10)17)12(18)19/h3,5-6,17H,4,7-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyBRUMPENPUAJOQU-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.50
Rot. Bonds2

About 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid

3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 104833695) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID104833695
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCC1(C)CCCN1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C14H18N2O4/c1-14(2)7-4-8-16(14)13(20)15-10-6-3-5-9(11(10)17)12(18)19/h3,5-6,17H,4,7-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyBRUMPENPUAJOQU-UHFFFAOYSA-N
XLogP2.50
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-[(2,2-dimethylpyrrolidine-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

3-bromo-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63219117
4-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 63218632
5-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid
CID 63219066
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-4-methylbenzoic acid
CID 63219197
2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458391
(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
CID 63218887
(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 63217932
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
2-hydroxy-3-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 104833689
2-hydroxy-3-[(2-propan-2-ylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 104833768
2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102963077
3,5-dibromo-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63219116

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid (CID 104833695) is 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid is CC1(C)CCCN1C(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is BRUMPENPUAJOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2)7-4-8-16(14)13(20)15-10-6-3-5-9(11(10)17)12(18)19/h3,5-6,17H,4,7-8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid?
3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 278.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104833695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).