3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid

C17H29NO3 — CID 103551110

IUPAC3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)C2CCC(C(=O)O)C2)CC(C)(C)C1
InChIInChI=1S/C17H29NO3/c1-16(2)8-13(9-17(3,4)10-16)18-14(19)11-5-6-12(7-11)15(20)21/h11-13H,5-10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyXSQLZLUSOUOEQA-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.21
Rot. Bonds3

About 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551110) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551110
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)C2CCC(C(=O)O)C2)CC(C)(C)C1
InChIInChI=1S/C17H29NO3/c1-16(2)8-13(9-17(3,4)10-16)18-14(19)11-5-6-12(7-11)15(20)21/h11-13H,5-10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyXSQLZLUSOUOEQA-UHFFFAOYSA-N
XLogP3.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-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

N-(3,3,5,5-tetramethylcyclohexyl)cyclopropanecarboxamide
CID 112568442
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
5-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688889
3-(oxetan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550927
3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 83028917
(3R)-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 103966600
4-[(5,5,8,8-tetramethyl-1,2,3,4,4a,6,7,8a-octahydronaphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 140576236
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332
cis-(1S,3R)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 97030816
cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103551110) is 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid is CC1(C)CC(NC(=O)C2CCC(C(=O)O)C2)CC(C)(C)C1.
What is the InChIKey of 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is XSQLZLUSOUOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-16(2)8-13(9-17(3,4)10-16)18-14(19)11-5-6-12(7-11)15(20)21/h11-13H,5-10H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).