2-[(6-methylquinolin-4-yl)amino]propanoic acid

C13H14N2O2 — CID 83840397

IUPAC2-[(6-methylquinolin-4-yl)amino]propanoic acid
SMILESCc1ccc2nccc(NC(C)C(=O)O)c2c1
InChIInChI=1S/C13H14N2O2/c1-8-3-4-11-10(7-8)12(5-6-14-11)15-9(2)13(16)17/h3-7,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyGYRQRJGMDQQGMA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.43
Rot. Bonds3

About 2-[(6-methylquinolin-4-yl)amino]propanoic acid

2-[(6-methylquinolin-4-yl)amino]propanoic acid (PubChem CID 83840397) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[(6-methylquinolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-methylquinolin-4-yl)amino]propanoic acid
PubChem CID83840397
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-[(6-methylquinolin-4-yl)amino]propanoic acid
SMILESCc1ccc2nccc(NC(C)C(=O)O)c2c1
InChIInChI=1S/C13H14N2O2/c1-8-3-4-11-10(7-8)12(5-6-14-11)15-9(2)13(16)17/h3-7,9H,1-2H3,(H,14,15)(H,16,17)
InChIKeyGYRQRJGMDQQGMA-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(6-propan-2-yloxyquinolin-4-yl)amino]propanoic acid
CID 122049854
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
2-(2-bromo-5-methylanilino)propanoic acid
CID 82761158
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491
2-[(6-chloroquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 154839535
N,N'-bis(6-methylquinolin-4-yl)heptane-1,7-diamine
CID 118717458
6-bromo-N-propan-2-ylquinolin-4-amine
CID 150956944
(2R)-2-(5-methyl-2-nitroanilino)propanoic acid
CID 120964446
2-[(2-methylquinolin-4-yl)amino]propanoic acid
CID 43525417
6-methyl-4-phenylquinoline
CID 15512349
(2S)-2-[(6-bromoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 133337923

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylquinolin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-methylquinolin-4-yl)amino]propanoic acid (CID 83840397) is 2-[(6-methylquinolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-methylquinolin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-methylquinolin-4-yl)amino]propanoic acid is Cc1ccc2nccc(NC(C)C(=O)O)c2c1.
What is the InChIKey of 2-[(6-methylquinolin-4-yl)amino]propanoic acid?
The InChIKey is GYRQRJGMDQQGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-3-4-11-10(7-8)12(5-6-14-11)15-9(2)13(16)17/h3-7,9H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(6-methylquinolin-4-yl)amino]propanoic acid?
2-[(6-methylquinolin-4-yl)amino]propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylquinolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 83840397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).