3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid

C11H20N2O3 — CID 43912840

IUPAC3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CC(C)CN(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8-5-9(2)7-13(6-8)11(16)12-4-3-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyKDMRNWXBDHHHDJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.15
Rot. Bonds3

About 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid

3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 43912840) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID43912840
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CC(C)CN(C(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8-5-9(2)7-13(6-8)11(16)12-4-3-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyKDMRNWXBDHHHDJ-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic 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 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid (CID 43912840) is 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid is CC1CC(C)CN(C(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is KDMRNWXBDHHHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-5-9(2)7-13(6-8)11(16)12-4-3-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43912840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).