2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid

C13H24N2O3 — CID 61190709

IUPAC2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)N1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)11(12(16)17)14-13(18)15-9(3)6-5-7-10(15)4/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyDXCZVYFKQIRFEZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds3

About 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid

2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 61190709) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
PubChem CID61190709
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)N1C(C)CCCC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)11(12(16)17)14-13(18)15-9(3)6-5-7-10(15)4/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyDXCZVYFKQIRFEZ-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic 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,3R)-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104935278
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
2-[(2,6-dimethylpiperidin-1-yl)amino]-3-methylbutanoic acid
CID 103261111
(2R)-2-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-3-methylbutanoic acid
CID 79010368
(2R)-3-methyl-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 79009778
(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
CID 107567758
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79180632
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 15199488
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79010361
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
(2R)-2-(azocane-1-carbonylamino)-3-methylbutanoic acid
CID 79010449

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid (CID 61190709) is 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)N1C(C)CCCC1C)C(=O)O.
What is the InChIKey of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is DXCZVYFKQIRFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)11(12(16)17)14-13(18)15-9(3)6-5-7-10(15)4/h8-11H,5-7H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid?
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 61190709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).