pent-1-en-3-yl 2-(methylamino)acetate

C8H15NO2 — CID 170207067

IUPACpent-1-en-3-yl 2-(methylamino)acetate
SMILESC=CC(CC)OC(=O)CNC
InChIInChI=1S/C8H15NO2/c1-4-7(5-2)11-8(10)6-9-3/h4,7,9H,1,5-6H2,2-3H3
InChIKeyWWQOUVVSWVRRSS-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds5

About pent-1-en-3-yl 2-(methylamino)acetate

pent-1-en-3-yl 2-(methylamino)acetate (PubChem CID 170207067) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is pent-1-en-3-yl 2-(methylamino)acetate.

Molecular Properties

Compound Namepent-1-en-3-yl 2-(methylamino)acetate
PubChem CID170207067
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namepent-1-en-3-yl 2-(methylamino)acetate
SMILESC=CC(CC)OC(=O)CNC
InChIInChI=1S/C8H15NO2/c1-4-7(5-2)11-8(10)6-9-3/h4,7,9H,1,5-6H2,2-3H3
InChIKeyWWQOUVVSWVRRSS-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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)-pent-1-en-3-yl] acetate
CID 92859949
[2-(methylamino)acetyl] (2S)-2-methylbutanoate
CID 175881617
pent-1-en-3-yloxycarbamic acid
CID 91159745
1-ethoxypropan-2-yl 2-(methylamino)acetate
CID 103489136
undecan-6-yl 2-(methylamino)acetate
CID 135139014
[(3S)-pent-1-en-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174331482
pent-1-en-3-yl 4-carbamoylbenzoate
CID 86782375
pent-1-en-3-yl 2-hydroxybenzoate
CID 11701252
azane;methyl 2-(methylamino)acetate
CID 87200278
pent-1-en-3-yl hydrogen sulfate
CID 87155299
1-hydroxyoctadec-9-enyl 2-(methylamino)acetate
CID 91364460
[2-(methylamino)acetyl] (2S,3R)-2-amino-3-methylpentanoate
CID 142299481

Frequently Asked Questions

What is the IUPAC name of pent-1-en-3-yl 2-(methylamino)acetate?
The IUPAC name of pent-1-en-3-yl 2-(methylamino)acetate (CID 170207067) is pent-1-en-3-yl 2-(methylamino)acetate.
What is the SMILES notation for pent-1-en-3-yl 2-(methylamino)acetate?
The canonical SMILES for pent-1-en-3-yl 2-(methylamino)acetate is C=CC(CC)OC(=O)CNC.
What is the InChIKey of pent-1-en-3-yl 2-(methylamino)acetate?
The InChIKey is WWQOUVVSWVRRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(5-2)11-8(10)6-9-3/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of pent-1-en-3-yl 2-(methylamino)acetate?
pent-1-en-3-yl 2-(methylamino)acetate has a molecular weight of 157.21 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-3-yl 2-(methylamino)acetate is sourced from PubChem (CID 170207067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).