methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate

C14H24N2O4 — CID 112732298

IUPACmethyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H24N2O4/c1-10(2)9-16(7-6-13(18)20-3)14(19)11-4-5-12(17)15-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyLVJAVQRYGLZOBD-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.56
Rot. Bonds6

About methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate

methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate (PubChem CID 112732298) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate
PubChem CID112732298
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Namemethyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C1CCC(=O)NC1
InChIInChI=1S/C14H24N2O4/c1-10(2)9-16(7-6-13(18)20-3)14(19)11-4-5-12(17)15-8-11/h10-11H,4-9H2,1-3H3,(H,15,17)
InChIKeyLVJAVQRYGLZOBD-UHFFFAOYSA-N
XLogP0.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate 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 methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate (CID 112732298) is methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)C1CCC(=O)NC1.
What is the InChIKey of methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate?
The InChIKey is LVJAVQRYGLZOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)9-16(7-6-13(18)20-3)14(19)11-4-5-12(17)15-8-11/h10-11H,4-9H2,1-3H3,(H,15,17).
What are the key properties of methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate?
methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate has a molecular weight of 284.36 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methylpropyl-(6-oxopiperidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 112732298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).