5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid

C14H20N2O3 — CID 62514840

IUPAC5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid
SMILESCCCNC(=O)CCNc1ccc(C)cc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-7-16-13(17)6-8-15-12-5-4-10(2)9-11(12)14(18)19/h4-5,9,15H,3,6-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLCEXJXIPRBMQNP-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.02
Rot. Bonds7

About 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid

5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid (PubChem CID 62514840) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid
PubChem CID62514840
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid
SMILESCCCNC(=O)CCNc1ccc(C)cc1C(=O)O
InChIInChI=1S/C14H20N2O3/c1-3-7-16-13(17)6-8-15-12-5-4-10(2)9-11(12)14(18)19/h4-5,9,15H,3,6-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyLCEXJXIPRBMQNP-UHFFFAOYSA-N
XLogP2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]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

3-(2-bromo-4-methylanilino)-N-propylpropanamide
CID 109011445
2-(butylamino)-5-methylbenzoic acid
CID 18802498
2-[3-(ethylamino)propylamino]-5-methylbenzoic acid
CID 55082979
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
5-methyl-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762145
5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62514277
2-[(2-amino-2-oxoethyl)amino]-5-methylbenzoic acid
CID 18802501
2-[2-(4-fluorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528850
5-methyl-2-(2-pyridin-4-ylethylamino)benzoic acid
CID 62515343
2-amino-3-fluoro-6-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid
CID 83207393

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid?
The IUPAC name of 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid (CID 62514840) is 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid is CCCNC(=O)CCNc1ccc(C)cc1C(=O)O.
What is the InChIKey of 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid?
The InChIKey is LCEXJXIPRBMQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-7-16-13(17)6-8-15-12-5-4-10(2)9-11(12)14(18)19/h4-5,9,15H,3,6-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid?
5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]benzoic acid is sourced from PubChem (CID 62514840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).