[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate

C13H23NO4 — CID 11065075

IUPAC[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-9(15)17-11-8-6-5-7-10(11)14-12(16)18-13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyDZMHTRYLKIGKEN-GHMZBOCLSA-N
MW257.33 g/mol
LogP2.39
Rot. Bonds2

About [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate

[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate (PubChem CID 11065075) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate
PubChem CID11065075
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-9(15)17-11-8-6-5-7-10(11)14-12(16)18-13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyDZMHTRYLKIGKEN-GHMZBOCLSA-N
XLogP2.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
CID 129395964
[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 126664177
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947
(1R,3S,4S)-3-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 146636334
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate
CID 15467720

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate?
The IUPAC name of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate (CID 11065075) is [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate.
What is the SMILES notation for [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate?
The canonical SMILES for [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate is CC(=O)O[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate?
The InChIKey is DZMHTRYLKIGKEN-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO4/c1-9(15)17-11-8-6-5-7-10(11)14-12(16)18-13(2,3)4/h10-11H,5-8H2,1-4H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate?
[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate has a molecular weight of 257.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate is sourced from PubChem (CID 11065075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).