3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C15H25NO3 — CID 79862092

IUPAC3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CCCCC1NC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H25NO3/c1-14(2)8-6-5-7-9(14)16-12(17)10-11(13(18)19)15(10,3)4/h9-11H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyVMRCYFIOLNULCB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.43
Rot. Bonds3

About 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 79862092) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID79862092
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)CCCCC1NC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H25NO3/c1-14(2)8-6-5-7-9(14)16-12(17)10-11(13(18)19)15(10,3)4/h9-11H,5-8H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyVMRCYFIOLNULCB-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834981
cis-(1R,3S)-3-(cyclooctylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091608
3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834865
3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 79878952
3-amino-N-(2,2-dimethylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119790519
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239
3-[(2-hydroxycyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834681
4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629043
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092184
2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103256629
4-amino-5-[(2,2-dimethylcyclohexyl)amino]-5-oxopentanoic acid
CID 79878132

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 79862092) is 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)CCCCC1NC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is VMRCYFIOLNULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(2)8-6-5-7-9(14)16-12(17)10-11(13(18)19)15(10,3)4/h9-11H,5-8H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 79862092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).