(4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C17H26N2O3 — CID 125448134

IUPAC(4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)C[C@H](C(=O)O)C12CCN(CC1=CCCCC1)CC2
InChIInChI=1S/C17H26N2O3/c1-18-15(20)11-14(16(21)22)17(18)7-9-19(10-8-17)12-13-5-3-2-4-6-13/h5,14H,2-4,6-12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyNZKGSUPIFUXCJS-CQSZACIVSA-N
MW306.41 g/mol
LogP1.88
Rot. Bonds3

About (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 125448134) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID125448134
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)C[C@H](C(=O)O)C12CCN(CC1=CCCCC1)CC2
InChIInChI=1S/C17H26N2O3/c1-18-15(20)11-14(16(21)22)17(18)7-9-19(10-8-17)12-13-5-3-2-4-6-13/h5,14H,2-4,6-12H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyNZKGSUPIFUXCJS-CQSZACIVSA-N
XLogP1.88
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic 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 (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 125448134) is (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)C[C@H](C(=O)O)C12CCN(CC1=CCCCC1)CC2.
What is the InChIKey of (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is NZKGSUPIFUXCJS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-18-15(20)11-14(16(21)22)17(18)7-9-19(10-8-17)12-13-5-3-2-4-6-13/h5,14H,2-4,6-12H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
(4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 306.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-(cyclohexen-1-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 125448134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).