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

C14H26N2O4 — CID 15467720

IUPAC[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1N(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(17)19-12-9-7-6-8-11(12)16(5)15-13(18)20-14(2,3)4/h11-12H,6-9H2,1-5H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyMYSPDWIBQGBLNF-VXGBXAGGSA-N
MW286.37 g/mol
LogP2.23
Rot. Bonds3

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

[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate (PubChem CID 15467720) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate
PubChem CID15467720
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate
SMILESCC(=O)O[C@@H]1CCCC[C@H]1N(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-10(17)19-12-9-7-6-8-11(12)16(5)15-13(18)20-14(2,3)4/h11-12H,6-9H2,1-5H3,(H,15,18)/t11-,12-/m1/s1
InChIKeyMYSPDWIBQGBLNF-VXGBXAGGSA-N
XLogP2.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate
CID 11065075
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1S,2S)-2-(N-methylanilino)cyclohexyl] acetate
CID 100993508
tert-butyl N-[(2S)-2-(dimethylamino)cyclopentyl]carbamate
CID 143692343
[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 126664177
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
1-O-tert-butyl 2-O-methyl 3-acetyloxypiperidine-1,2-dicarboxylate
CID 139572753
(1R,3S,4S)-3-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 146636334
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate?
The IUPAC name of [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate (CID 15467720) is [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate.
What is the SMILES notation for [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate?
The canonical SMILES for [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate is CC(=O)O[C@@H]1CCCC[C@H]1N(C)NC(=O)OC(C)(C)C.
What is the InChIKey of [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate?
The InChIKey is MYSPDWIBQGBLNF-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(17)19-12-9-7-6-8-11(12)16(5)15-13(18)20-14(2,3)4/h11-12H,6-9H2,1-5H3,(H,15,18)/t11-,12-/m1/s1.
What are the key properties of [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate?
[(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate has a molecular weight of 286.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]cyclohexyl] acetate is sourced from PubChem (CID 15467720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).