3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C14H25NO4 — CID 11357744

IUPAC3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCCC(=CCOC(=O)CNC(=O)OC(C)(C)C)CC
InChIInChI=1S/C14H25NO4/c1-6-11(7-2)8-9-18-12(16)10-15-13(17)19-14(3,4)5/h8H,6-7,9-10H2,1-5H3,(H,15,17)
InChIKeyQCEUURLLMSXDEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds6

About 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 11357744) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID11357744
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCCC(=CCOC(=O)CNC(=O)OC(C)(C)C)CC
InChIInChI=1S/C14H25NO4/c1-6-11(7-2)8-9-18-12(16)10-15-13(17)19-14(3,4)5/h8H,6-7,9-10H2,1-5H3,(H,15,17)
InChIKeyQCEUURLLMSXDEP-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
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

2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499
[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386709
[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11426223
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
[(E)-3-cyclopropylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 168982002
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
2-(2-ethoxyethoxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156835456
hexadecyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54136324
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
tert-butyl N-[2-(chloromethyl)-3-fluoroprop-2-enyl]carbamate
CID 153388228
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819

Frequently Asked Questions

What is the IUPAC name of 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 11357744) is 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CCC(=CCOC(=O)CNC(=O)OC(C)(C)C)CC.
What is the InChIKey of 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is QCEUURLLMSXDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-11(7-2)8-9-18-12(16)10-15-13(17)19-14(3,4)5/h8H,6-7,9-10H2,1-5H3,(H,15,17).
What are the key properties of 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 271.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 11357744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).