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

C12H21NO4 — CID 85316912

IUPACpent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC=CC(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)
InChIKeyGZXYRSFBFTXIGZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.02
Rot. Bonds4

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

pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 85316912) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namepent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID85316912
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namepent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC=CC(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)
InChIKeyGZXYRSFBFTXIGZ-UHFFFAOYSA-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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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl (E)-4-oxopent-2-enoate
CID 155553536
Cyclopenten-1-ylmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 89761223
[(Z)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohex-3-en-2-yl] acetate
CID 10869395
[(E)-1-trimethylsilylhex-4-en-1-yn-3-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11809532
Cyclohex-2-en-1-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 12839989
[(E)-4-trimethylsilylbut-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 101221451
Ethyl (e)-3-acetoxy-2-t-butoxycarbonylamino-4-hexenoate
CID 129710167
[(Z,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
CID 134869384
[(Z,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxooct-4-en-3-yl] acetate
CID 134869494
[(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134968181
[(2R)-1-[(E)-prop-1-enoxy]but-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 178323990
[(Z)-4-hydroxybut-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 14106680

Frequently Asked Questions

What is the IUPAC name of pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 85316912) is pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC=CC(C)OC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is GZXYRSFBFTXIGZ-UHFFFAOYSA-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).
What are the key properties of pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
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 pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 85316912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).