cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C14H23NO4 — CID 134892428

IUPACcyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCC1=CCCCC1
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-9-12(16)18-10-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,15,17)
InChIKeyVJEIXGGOWLDCNF-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.55
Rot. Bonds4

About cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 134892428) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namecyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID134892428
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namecyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCC1=CCCCC1
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-9-12(16)18-10-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,15,17)
InChIKeyVJEIXGGOWLDCNF-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclopenten-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 89761223
Cyclohex-2-en-1-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 12839989
Cyclohepten-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134870768
[(1E)-cycloocten-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134870769
[(Z)-17-acetyloxyheptadec-9-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134982657
[(E)-17-acetyloxyheptadec-9-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134982662
[(E)-1,1,1-trifluorodec-2-en-4-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 102462944
Glycine, N-allyloxycarbonyl-, pent-10-enyl ester
CID 91691244
Glycine, N-allyloxycarbonyl-, tetradec-11-enyl ester
CID 91691260
2-Cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11346234
ethyl 2-[[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]carbonylamino]acetate
CID 71737348
Ethyl 2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxycarbonylamino)acetate
CID 78164720

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 134892428) is cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)OCC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is VJEIXGGOWLDCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-9-12(16)18-10-11-7-5-4-6-8-11/h7H,4-6,8-10H2,1-3H3,(H,15,17).
What are the key properties of cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 269.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 134892428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).