4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid

C14H21NO3 — CID 122108091

IUPAC4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2CC23CC3)(C(=O)O)CC1
InChIInChI=1S/C14H21NO3/c1-9-2-4-14(5-3-9,12(17)18)15-11(16)10-8-13(10)6-7-13/h9-10H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyWAWITIKMMVSDQS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.94
Rot. Bonds3

About 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid

4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 122108091) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID122108091
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)C2CC23CC3)(C(=O)O)CC1
InChIInChI=1S/C14H21NO3/c1-9-2-4-14(5-3-9,12(17)18)15-11(16)10-8-13(10)6-7-13/h9-10H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyWAWITIKMMVSDQS-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-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

Related Compounds

1-Acetamido-4-methylcyclohexane-1-carboxylic acid
CID 43163090
1-[(Cyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 24707108
4-Methyl-1-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxylic acid
CID 43341456
4-Methyl-1-(4,4,4-trifluorobutanoylamino)cyclohexane-1-carboxylic acid
CID 65711499
4-Methyl-1-[(4,4,4-trifluoro-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 121909677
4-Ethyl-1-[(4,4,4-trifluoro-3,3-dimethylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 121909711
4,4-Dimethyl-1-(trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 165920487
4-Tert-butyl-1-(2,2,2-trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 165927526
1-(2,2-Dimethylpropanoylamino)cyclohexane-1-carboxylic acid
CID 20627807
1-(3-Methylbutanamido)cyclohexane-1-carboxylic acid
CID 24693677
1-(2-Methylpropanamido)cyclohexane-1-carboxylic acid
CID 24708658
(2R)-2-acetamido-2-cyclohexylbutanoic acid
CID 69419169

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid (CID 122108091) is 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)C2CC23CC3)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is WAWITIKMMVSDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-2-4-14(5-3-9,12(17)18)15-11(16)10-8-13(10)6-7-13/h9-10H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid?
4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122108091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).