cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate

C11H18NO3- — CID 6927821

IUPACcis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate
SMILESCC(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C11H19NO3/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/p-1/t8-,9+/m1/s1
InChIKeyLKHIMICNMRXHFN-BDAKNGLRSA-M
MW212.27 g/mol
LogP0.07
Rot. Bonds3

About cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate

cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate (PubChem CID 6927821) has the molecular formula C11H18NO3- and a molecular weight of 212.27 g/mol. Its IUPAC name is cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate
PubChem CID6927821
Molecular FormulaC11H18NO3-
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Namecis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate
SMILESCC(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]
InChIInChI=1S/C11H19NO3/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/p-1/t8-,9+/m1/s1
InChIKeyLKHIMICNMRXHFN-BDAKNGLRSA-M
XLogP0.07
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
2-(cyclopentylcarbamoyl)cyclohexane-1-carboxylate
CID 4745906
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
2-amino-N-propan-2-ylcyclooctane-1-carboxamide;hydrochloride
CID 119668927
aluminum;cyclohexane-1,2-dicarboxylate;hydroxide
CID 90236478
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
trans-(1S,2S)-2-(cyclooctylcarbamoyl)cyclohexane-1-carboxylate
CID 2179462
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
trans-(1S,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclohexane-1-carboxylate
CID 7316354
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
trans-(1R,2R)-N-propan-2-yl-2-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 168834989
2-methylsulfanyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 130637655

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate?
The IUPAC name of cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate (CID 6927821) is cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate.
What is the SMILES notation for cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate?
The canonical SMILES for cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate is CC(C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-].
What is the InChIKey of cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate?
The InChIKey is LKHIMICNMRXHFN-BDAKNGLRSA-M. The full InChI is InChI=1S/C11H19NO3/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/p-1/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate?
cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate has a molecular weight of 212.27 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 6927821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).