3-methyl-2-(quinolin-6-ylamino)butanoic acid

C14H16N2O2 — CID 82539325

IUPAC3-methyl-2-(quinolin-6-ylamino)butanoic acid
SMILESCC(C)C(Nc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-9(2)13(14(17)18)16-11-5-6-12-10(8-11)4-3-7-15-12/h3-9,13,16H,1-2H3,(H,17,18)
InChIKeyBTKCQNAJXNUNFM-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.76
Rot. Bonds4

About 3-methyl-2-(quinolin-6-ylamino)butanoic acid

3-methyl-2-(quinolin-6-ylamino)butanoic acid (PubChem CID 82539325) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methyl-2-(quinolin-6-ylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(quinolin-6-ylamino)butanoic acid
PubChem CID82539325
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-methyl-2-(quinolin-6-ylamino)butanoic acid
SMILESCC(C)C(Nc1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H16N2O2/c1-9(2)13(14(17)18)16-11-5-6-12-10(8-11)4-3-7-15-12/h3-9,13,16H,1-2H3,(H,17,18)
InChIKeyBTKCQNAJXNUNFM-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(quinolin-6-ylamino)butanoic 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-hydroxy-2-(quinolin-6-ylcarbamoylamino)butanoic acid
CID 62636014
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
1-[4-(quinolin-6-ylamino)phenyl]ethanone
CID 82536653
(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
N-quinolin-6-ylbenzamide
CID 833617
3-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-(quinolin-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 72705614
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
N-hexan-2-ylquinolin-6-amine
CID 62636483
N-[1-(1H-pyrazol-5-yl)ethyl]quinolin-6-amine
CID 55097402

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(quinolin-6-ylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(quinolin-6-ylamino)butanoic acid (CID 82539325) is 3-methyl-2-(quinolin-6-ylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(quinolin-6-ylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(quinolin-6-ylamino)butanoic acid is CC(C)C(Nc1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of 3-methyl-2-(quinolin-6-ylamino)butanoic acid?
The InChIKey is BTKCQNAJXNUNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9(2)13(14(17)18)16-11-5-6-12-10(8-11)4-3-7-15-12/h3-9,13,16H,1-2H3,(H,17,18).
What are the key properties of 3-methyl-2-(quinolin-6-ylamino)butanoic acid?
3-methyl-2-(quinolin-6-ylamino)butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(quinolin-6-ylamino)butanoic acid is sourced from PubChem (CID 82539325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).