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

C15H25NO3 — CID 81387091

IUPAC3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESC[C@@H](NC(=O)C1C(C(=O)O)C1(C)C)C1CCCCC1
InChIInChI=1S/C15H25NO3/c1-9(10-7-5-4-6-8-10)16-13(17)11-12(14(18)19)15(11,2)3/h9-12H,4-8H2,1-3H3,(H,16,17)(H,18,19)/t9-,11?,12?/m1/s1
InChIKeyRKCRPZVZGQTWNS-OIKLOGQESA-N
MW267.37 g/mol
LogP2.43
Rot. Bonds4

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

3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 81387091) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID81387091
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESC[C@@H](NC(=O)C1C(C(=O)O)C1(C)C)C1CCCCC1
InChIInChI=1S/C15H25NO3/c1-9(10-7-5-4-6-8-10)16-13(17)11-12(14(18)19)15(11,2)3/h9-12H,4-8H2,1-3H3,(H,16,17)(H,18,19)/t9-,11?,12?/m1/s1
InChIKeyRKCRPZVZGQTWNS-OIKLOGQESA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid with MolForge

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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
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81387173
(2R,5S)-5-(1-cyclohexylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945182
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81385531
3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834865
2-amino-N-[(1S)-1-cycloheptylethyl]cycloheptane-1-carboxamide
CID 81392541
6-[[(1S)-1-cyclohexylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81387090
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
N-[(1R)-1-cyclohexylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81386633

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 81387091) is 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is C[C@@H](NC(=O)C1C(C(=O)O)C1(C)C)C1CCCCC1.
What is the InChIKey of 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is RKCRPZVZGQTWNS-OIKLOGQESA-N. The full InChI is InChI=1S/C15H25NO3/c1-9(10-7-5-4-6-8-10)16-13(17)11-12(14(18)19)15(11,2)3/h9-12H,4-8H2,1-3H3,(H,16,17)(H,18,19)/t9-,11?,12?/m1/s1.
What are the key properties of 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 81387091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).