(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide

C11H17NO3 — CID 124706491

IUPAC(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide
SMILESC[C@@H]1[C@@H](C(N)=O)C(=O)OC12CCCCC2
InChIInChI=1S/C11H17NO3/c1-7-8(9(12)13)10(14)15-11(7)5-3-2-4-6-11/h7-8H,2-6H2,1H3,(H2,12,13)/t7-,8+/m1/s1
InChIKeyJVHAXENLFFMZJO-SFYZADRCSA-N
MW211.26 g/mol
LogP0.98
Rot. Bonds1

About (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide

(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide (PubChem CID 124706491) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide
PubChem CID124706491
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide
SMILESC[C@@H]1[C@@H](C(N)=O)C(=O)OC12CCCCC2
InChIInChI=1S/C11H17NO3/c1-7-8(9(12)13)10(14)15-11(7)5-3-2-4-6-11/h7-8H,2-6H2,1H3,(H2,12,13)/t7-,8+/m1/s1
InChIKeyJVHAXENLFFMZJO-SFYZADRCSA-N
XLogP0.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide 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 (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide (CID 124706491) is (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide is C[C@@H]1[C@@H](C(N)=O)C(=O)OC12CCCCC2.
What is the InChIKey of (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide?
The InChIKey is JVHAXENLFFMZJO-SFYZADRCSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-8(9(12)13)10(14)15-11(7)5-3-2-4-6-11/h7-8H,2-6H2,1H3,(H2,12,13)/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide?
(3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methyl-2-oxo-1-oxaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 124706491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).