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

C11H19NO3 — CID 724026

IUPACcis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
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)/t8-,9+/m0/s1
InChIKeyLKHIMICNMRXHFN-DTWKUNHWSA-N
MW213.28 g/mol
LogP1.40
Rot. Bonds3

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

cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 724026) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID724026
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namecis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
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)/t8-,9+/m0/s1
InChIKeyLKHIMICNMRXHFN-DTWKUNHWSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
cis-(1S,2R)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6927821
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
cis-(1S,2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106344045
2-(3-ethylpentan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63841768
cis-(1S,2R)-2-[(1-carboxy-2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092157
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
cis-(1S,2R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143706762
cis-(1S,2R)-2-[[(2S)-heptan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40579347
2-(2,2,5-trimethylhexan-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 71041761
ethane;(1R)-2-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 143679818
2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 724026) is cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is CC(C)NC(=O)[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is LKHIMICNMRXHFN-DTWKUNHWSA-N. 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)/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 724026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).