methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate

C14H25NO4 — CID 68804451

IUPACmethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
SMILESCOC(=O)CC1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(17)15-11-8-6-5-7-10(11)9-12(16)18-4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyLKOMMGVNCCVOEH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds3

About methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate

methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate (PubChem CID 68804451) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
PubChem CID68804451
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate
SMILESCOC(=O)CC1CCCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-14(2,3)19-13(17)15-11-8-6-5-7-10(11)9-12(16)18-4/h10-11H,5-9H2,1-4H3,(H,15,17)
InChIKeyLKOMMGVNCCVOEH-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]acetic acid
CID 34176591
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]acetate
CID 85167368
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[2-(2-oxobut-3-ynyl)cyclopentyl]carbamate
CID 165471003
3-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]propanoic acid
CID 178190162
tert-butyl N-[(1R,2S)-2-[2-(methylamino)ethyl]cyclopentyl]carbamate
CID 178190157
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
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-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243819
tert-butyl N-[(1S,2R)-2-formylcycloheptyl]carbamate
CID 87517913
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate?
The IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate (CID 68804451) is methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate?
The canonical SMILES for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate is COC(=O)CC1CCCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate?
The InChIKey is LKOMMGVNCCVOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-14(2,3)19-13(17)15-11-8-6-5-7-10(11)9-12(16)18-4/h10-11H,5-9H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate?
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate has a molecular weight of 271.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetate is sourced from PubChem (CID 68804451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).