2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C14H23NO4 — CID 11346234

IUPAC2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCC=C1CCCC1
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-10-12(16)18-9-8-11-6-4-5-7-11/h8H,4-7,9-10H2,1-3H3,(H,15,17)
InChIKeyFRRRFCLRZQETEG-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.55
Rot. Bonds4

About 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 11346234) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID11346234
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)OCC=C1CCCC1
InChIInChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-10-12(16)18-9-8-11-6-4-5-7-11/h8H,4-7,9-10H2,1-3H3,(H,15,17)
InChIKeyFRRRFCLRZQETEG-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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 11346234) is 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(C)OC(=O)NCC(=O)OCC=C1CCCC1.
What is the InChIKey of 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is FRRRFCLRZQETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-14(2,3)19-13(17)15-10-12(16)18-9-8-11-6-4-5-7-11/h8H,4-7,9-10H2,1-3H3,(H,15,17).
What are the key properties of 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
2-cyclopentylideneethyl 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 2-cyclopentylideneethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 11346234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).