(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid

C13H24N2O3 — CID 106739654

IUPAC(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CCNC(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)6-11(13(17)18)15-12(16)10-4-5-14-9(3)7-10/h8-11,14H,4-7H2,1-3H3,(H,15,16)(H,17,18)/t9?,10?,11-/m0/s1
InChIKeyXVCWJSXXMNCRLE-ILDUYXDCSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds5

About (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid (PubChem CID 106739654) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
PubChem CID106739654
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
SMILESCC(C)C[C@H](NC(=O)C1CCNC(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)6-11(13(17)18)15-12(16)10-4-5-14-9(3)7-10/h8-11,14H,4-7H2,1-3H3,(H,15,16)(H,17,18)/t9?,10?,11-/m0/s1
InChIKeyXVCWJSXXMNCRLE-ILDUYXDCSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]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

3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
(2S)-2-[[3,5-bis[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]cyclohexanecarbonyl]amino]-4-methylpentanoic acid
CID 132574091
(2S,4S)-2-methyl-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120618230
(2S)-4-methyl-2-[(2-oxopiperidine-4-carbonyl)amino]pentanoic acid
CID 119361063
4-methyl-2-[(2-methyloxane-4-carbonyl)amino]pentanoic acid
CID 120516078
2-(cyclooctanecarbonylamino)-4-methylpentanoic acid
CID 65018915
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(2S)-2-(cycloheptanecarbonylamino)-4-methylpentanoic acid
CID 22872515
2-[(3-aminocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 63045913
(2S)-2-[(3-fluorocyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 122126117
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid (CID 106739654) is (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid is CC(C)C[C@H](NC(=O)C1CCNC(C)C1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid?
The InChIKey is XVCWJSXXMNCRLE-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)6-11(13(17)18)15-12(16)10-4-5-14-9(3)7-10/h8-11,14H,4-7H2,1-3H3,(H,15,16)(H,17,18)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 106739654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).