3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid

C16H18N2O3 — CID 16795877

IUPAC3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-3-10(2)14(16(20)21)18-15(19)13-9-8-11-6-4-5-7-12(11)17-13/h4-10,14H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMXJMWIZGPHHEQR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.46
Rot. Bonds5

About 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid

3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid (PubChem CID 16795877) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
PubChem CID16795877
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc2ccccc2n1)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-3-10(2)14(16(20)21)18-15(19)13-9-8-11-6-4-5-7-12(11)17-13/h4-10,14H,3H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMXJMWIZGPHHEQR-UHFFFAOYSA-N
XLogP2.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(quinoline-2-carbonylamino)pentanoic 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

(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
CID 120520770
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-[(2S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 88968167
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
4-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxobutanoic acid
CID 138523405
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
CID 61173973
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid?
The IUPAC name of 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid (CID 16795877) is 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid?
The canonical SMILES for 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid is CCC(C)C(NC(=O)c1ccc2ccccc2n1)C(=O)O.
What is the InChIKey of 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid?
The InChIKey is MXJMWIZGPHHEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-10(2)14(16(20)21)18-15(19)13-9-8-11-6-4-5-7-12(11)17-13/h4-10,14H,3H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid?
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 16795877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).