2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid

C13H24N2O3 — CID 113440701

IUPAC2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCC1CCN(C(=O)NCCCC(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10-5-8-15(9-6-10)13(18)14-7-3-4-11(2)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyACZPLWUDYYWNER-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds5

About 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid

2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 113440701) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID113440701
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCC1CCN(C(=O)NCCCC(C)C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-10-5-8-15(9-6-10)13(18)14-7-3-4-11(2)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyACZPLWUDYYWNER-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 104686059
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
5-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686905
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540824
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
CID 129348452
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
CID 79160318
4-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 114679498
4-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540176
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid (CID 113440701) is 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid is CC1CCN(C(=O)NCCCC(C)C(=O)O)CC1.
What is the InChIKey of 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is ACZPLWUDYYWNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-5-8-15(9-6-10)13(18)14-7-3-4-11(2)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 113440701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).