4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid

C13H24N2O4 — CID 102962668

IUPAC4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCOC1CN(C(=O)NC(C)CCC(=O)O)CCC1C
InChIInChI=1S/C13H24N2O4/c1-9-6-7-15(8-11(9)19-3)13(18)14-10(2)4-5-12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyNSWXWEVXGLGXLQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds5

About 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid

4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 102962668) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID102962668
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCOC1CN(C(=O)NC(C)CCC(=O)O)CCC1C
InChIInChI=1S/C13H24N2O4/c1-9-6-7-15(8-11(9)19-3)13(18)14-10(2)4-5-12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyNSWXWEVXGLGXLQ-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-methoxy-4-methylpiperidine-1-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

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid (CID 102962668) is 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid is COC1CN(C(=O)NC(C)CCC(=O)O)CCC1C.
What is the InChIKey of 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is NSWXWEVXGLGXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-6-7-15(8-11(9)19-3)13(18)14-10(2)4-5-12(16)17/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 102962668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).