methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate

C11H19NO3 — CID 67724946

IUPACmethyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
SMILESCCC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC
InChIInChI=1S/C11H19NO3/c1-3-10(13)8-6-4-5-7-9(8)12-11(14)15-2/h8-9H,3-7H2,1-2H3,(H,12,14)/t8-,9-/m1/s1
InChIKeyXGGWUPZQAXFRNA-RKDXNWHRSA-N
MW213.28 g/mol
LogP1.88
Rot. Bonds3

About methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate

methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate (PubChem CID 67724946) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
PubChem CID67724946
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
SMILESCCC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC
InChIInChI=1S/C11H19NO3/c1-3-10(13)8-6-4-5-7-9(8)12-11(14)15-2/h8-9H,3-7H2,1-2H3,(H,12,14)/t8-,9-/m1/s1
InChIKeyXGGWUPZQAXFRNA-RKDXNWHRSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2R)-2-propanoylcyclohexyl]carbamate
CID 122592104
methyl N-[2-(2-bromoacetyl)cycloheptyl]carbamate
CID 104701650
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
tert-butyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701400
ethyl N-[2-(2-bromoacetyl)cycloheptyl]carbamate
CID 104701654
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
CID 104701394
1-[(1S,2S)-2-(tert-butylamino)cyclopentyl]propan-1-one
CID 89084410
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
methyl N-[(1S,2S)-2-iodocycloheptyl]carbamate
CID 134934490

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate?
The IUPAC name of methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate (CID 67724946) is methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate.
What is the SMILES notation for methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate?
The canonical SMILES for methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate is CCC(=O)[C@@H]1CCCC[C@H]1NC(=O)OC.
What is the InChIKey of methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate?
The InChIKey is XGGWUPZQAXFRNA-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-10(13)8-6-4-5-7-9(8)12-11(14)15-2/h8-9H,3-7H2,1-2H3,(H,12,14)/t8-,9-/m1/s1.
What are the key properties of methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate?
methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate is sourced from PubChem (CID 67724946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).