[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C11H19NO4 — CID 5386709

IUPAC[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC/C=C/COC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-6-7-15-9(13)8-12-10(14)16-11(2,3)4/h5-6H,7-8H2,1-4H3,(H,12,14)/b6-5+
InChIKeyBESJFBPXZRWCBF-AATRIKPKSA-N
MW229.28 g/mol
LogP1.63
Rot. Bonds4

About [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 5386709) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID5386709
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC/C=C/COC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO4/c1-5-6-7-15-9(13)8-12-10(14)16-11(2,3)4/h5-6H,7-8H2,1-4H3,(H,12,14)/b6-5+
InChIKeyBESJFBPXZRWCBF-AATRIKPKSA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.63
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)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11426223
[(E)-3-cyclopropylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 168982002
[(E)-3-phenylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386708
3-ethylpent-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11357744
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
tert-butyl N-(2-amino-2-oxoethyl)carbamate;ethane;prop-1-ene
CID 144701048
2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11687095
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171

Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 5386709) is [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is C/C=C/COC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is BESJFBPXZRWCBF-AATRIKPKSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-6-7-15-9(13)8-12-10(14)16-11(2,3)4/h5-6H,7-8H2,1-4H3,(H,12,14)/b6-5+.
What are the key properties of [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 229.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 5386709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).