[(E)-pent-3-en-2-yl] 2-(methylamino)acetate

C8H15NO2 — CID 59943624

IUPAC[(E)-pent-3-en-2-yl] 2-(methylamino)acetate
SMILESC/C=C/C(C)OC(=O)CNC
InChIInChI=1S/C8H15NO2/c1-4-5-7(2)11-8(10)6-9-3/h4-5,7,9H,6H2,1-3H3/b5-4+
InChIKeySOOJFYHFZIPDRG-SNAWJCMRSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds4

About [(E)-pent-3-en-2-yl] 2-(methylamino)acetate

[(E)-pent-3-en-2-yl] 2-(methylamino)acetate (PubChem CID 59943624) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(E)-pent-3-en-2-yl] 2-(methylamino)acetate.

Molecular Properties

Compound Name[(E)-pent-3-en-2-yl] 2-(methylamino)acetate
PubChem CID59943624
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(E)-pent-3-en-2-yl] 2-(methylamino)acetate
SMILESC/C=C/C(C)OC(=O)CNC
InChIInChI=1S/C8H15NO2/c1-4-5-7(2)11-8(10)6-9-3/h4-5,7,9H,6H2,1-3H3/b5-4+
InChIKeySOOJFYHFZIPDRG-SNAWJCMRSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R)-1,2,3,6-tetrahydropyridin-3-yl] acetate
CID 134965840
[(E,2S)-pent-3-en-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 134968181
3,7,11-Trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate
CID 75244068
Pent-3-en-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 85316912
Hex-2-enyl 2-aminoacetate
CID 85812386
[(Z)-but-2-enyl] 2-(methylamino)acetate
CID 139540657
[(1E,7Z)-cycloocta-1,4,7-trien-1-yl]methyl 2-(methylamino)acetate
CID 145602485
1,2,3,6-Tetrahydropyridin-3-yl acetate
CID 150697224
But-3-en-2-yl 2-(methylamino)acetate
CID 153041185
But-3-en-2-yl 2-(trideuteriomethylamino)acetate
CID 155759933
Pent-1-en-3-yl 2-(trideuteriomethylamino)acetate
CID 155760098
[(Z)-2-methylidenepent-3-enyl] 2-(methylamino)acetate
CID 156127704

Frequently Asked Questions

What is the IUPAC name of [(E)-pent-3-en-2-yl] 2-(methylamino)acetate?
The IUPAC name of [(E)-pent-3-en-2-yl] 2-(methylamino)acetate (CID 59943624) is [(E)-pent-3-en-2-yl] 2-(methylamino)acetate.
What is the SMILES notation for [(E)-pent-3-en-2-yl] 2-(methylamino)acetate?
The canonical SMILES for [(E)-pent-3-en-2-yl] 2-(methylamino)acetate is C/C=C/C(C)OC(=O)CNC.
What is the InChIKey of [(E)-pent-3-en-2-yl] 2-(methylamino)acetate?
The InChIKey is SOOJFYHFZIPDRG-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-5-7(2)11-8(10)6-9-3/h4-5,7,9H,6H2,1-3H3/b5-4+.
What are the key properties of [(E)-pent-3-en-2-yl] 2-(methylamino)acetate?
[(E)-pent-3-en-2-yl] 2-(methylamino)acetate has a molecular weight of 157.21 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-pent-3-en-2-yl] 2-(methylamino)acetate is sourced from PubChem (CID 59943624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).