[(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C12H21NO4 — CID 134968181

IUPAC[(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC/C=C/[C@H](C)OC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-6-7-9(2)16-10(14)8-13-11(15)17-12(3,4)5/h6-7,9H,8H2,1-5H3,(H,13,15)/b7-6+/t9-/m0/s1
InChIKeyGZXYRSFBFTXIGZ-UCUJLANTSA-N
MW243.30 g/mol
LogP2.02
Rot. Bonds4

About [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 134968181) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID134968181
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name[(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESC/C=C/[C@H](C)OC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-6-7-9(2)16-10(14)8-13-11(15)17-12(3,4)5/h6-7,9H,8H2,1-5H3,(H,13,15)/b7-6+/t9-/m0/s1
InChIKeyGZXYRSFBFTXIGZ-UCUJLANTSA-N
XLogP2.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.02
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 [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 134968181) is [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is C/C=C/[C@H](C)OC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is GZXYRSFBFTXIGZ-UCUJLANTSA-N. The full InChI is InChI=1S/C12H21NO4/c1-6-7-9(2)16-10(14)8-13-11(15)17-12(3,4)5/h6-7,9H,8H2,1-5H3,(H,13,15)/b7-6+/t9-/m0/s1.
What are the key properties of [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 243.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 134968181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).