5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid

C12H22N2O3 — CID 107068216

IUPAC5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
SMILESCC1CCCNC1C(=O)NCCCCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-9-5-4-8-13-11(9)12(17)14-7-3-2-6-10(15)16/h9,11,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyJPTBXZUQRDVVKX-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.75
Rot. Bonds6

About 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid

5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid (PubChem CID 107068216) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
PubChem CID107068216
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
SMILESCC1CCCNC1C(=O)NCCCCC(=O)O
InChIInChI=1S/C12H22N2O3/c1-9-5-4-8-13-11(9)12(17)14-7-3-2-6-10(15)16/h9,11,13H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyJPTBXZUQRDVVKX-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(3-methylpiperidine-2-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

N-[3-(dimethylamino)propyl]-3-methylpiperidine-2-carboxamide
CID 62338925
4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 107068233
3-methyl-N-(3-piperidin-1-ylpropyl)piperidine-2-carboxamide
CID 107067190
2-hydroxy-4-[(3-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 107835996
3-methyl-N-pentylpyrrolidine-2-carboxamide
CID 102776846
N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide
CID 102778285
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009
N-(2-chloroprop-2-enyl)-3-methylpiperidine-2-carboxamide
CID 107068571
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
N-(2,2-dimethylpropyl)-3-methylpiperidine-2-carboxamide
CID 62338768
(2S)-2-[(3-methylpiperidine-2-carbonyl)amino]pentanedioic acid
CID 107067933
N-[(2S)-2-hydroxypropyl]-3-methylpiperidine-2-carboxamide
CID 107221242

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid (CID 107068216) is 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid is CC1CCCNC1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid?
The InChIKey is JPTBXZUQRDVVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-5-4-8-13-11(9)12(17)14-7-3-2-6-10(15)16/h9,11,13H,2-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid?
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107068216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).