3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid

C12H22N2O3 — CID 115866989

IUPAC3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCC1CCNC(C(=O)NC(C(=O)O)C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-7(2)10(12(16)17)14-11(15)9-6-8(3)4-5-13-9/h7-10,13H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNDJJKXUQWUGMMU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.60
Rot. Bonds4

About 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid

3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid (PubChem CID 115866989) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
PubChem CID115866989
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCC1CCNC(C(=O)NC(C(=O)O)C(C)C)C1
InChIInChI=1S/C12H22N2O3/c1-7(2)10(12(16)17)14-11(15)9-6-8(3)4-5-13-9/h7-10,13H,4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyNDJJKXUQWUGMMU-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]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

N-(1-cyclopropylethyl)-4-methylpiperidine-2-carboxamide
CID 114422825
3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79388459
(2R)-3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79385021
(2R)-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009605
N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114424416
N-(5-hydroxypentan-2-yl)-4-methylpiperidine-2-carboxamide
CID 114424286
4-methyl-N-pent-4-en-2-ylpiperidine-2-carboxamide
CID 114424522
N-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperidine-2-carboxamide
CID 114423032
4-methylpiperidine-2-carbohydrazide
CID 114424068
(2S)-3-methyl-2-[[(2S,4S)-4-sulfopyrrolidine-2-carbonyl]amino]butanoic acid
CID 140895492
4-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-2-carboxamide
CID 114424478
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 115867150

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid (CID 115866989) is 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid is CC1CCNC(C(=O)NC(C(=O)O)C(C)C)C1.
What is the InChIKey of 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid?
The InChIKey is NDJJKXUQWUGMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7(2)10(12(16)17)14-11(15)9-6-8(3)4-5-13-9/h7-10,13H,4-6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid?
3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 115866989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).