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

C11H20N2O3 — CID 104596542

IUPAC4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCC1(C(=O)NCCCC(=O)O)CCCCN1
InChIInChI=1S/C11H20N2O3/c1-11(6-2-3-8-13-11)10(16)12-7-4-5-9(14)15/h13H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyGLNOVOQLUPZDRH-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.50
Rot. Bonds5

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

4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid (PubChem CID 104596542) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
PubChem CID104596542
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCC1(C(=O)NCCCC(=O)O)CCCCN1
InChIInChI=1S/C11H20N2O3/c1-11(6-2-3-8-13-11)10(16)12-7-4-5-9(14)15/h13H,2-8H2,1H3,(H,12,16)(H,14,15)
InChIKeyGLNOVOQLUPZDRH-UHFFFAOYSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2-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

6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide
CID 113368586
N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596637
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 103156961
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
2-[1-[(2-methylpiperidine-2-carbonyl)amino]cyclobutyl]acetic acid
CID 113430878

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid (CID 104596542) is 4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid is CC1(C(=O)NCCCC(=O)O)CCCCN1.
What is the InChIKey of 4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid?
The InChIKey is GLNOVOQLUPZDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(6-2-3-8-13-11)10(16)12-7-4-5-9(14)15/h13H,2-8H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid?
4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104596542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).