prop-2-enyl 2-(methylamino)propanoate

C7H13NO2 — CID 123989445

IUPACprop-2-enyl 2-(methylamino)propanoate
SMILESC=CCOC(=O)C(C)NC
InChIInChI=1S/C7H13NO2/c1-4-5-10-7(9)6(2)8-3/h4,6,8H,1,5H2,2-3H3
InChIKeyJRRXIIYISMZGHC-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds4

About prop-2-enyl 2-(methylamino)propanoate

prop-2-enyl 2-(methylamino)propanoate (PubChem CID 123989445) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is prop-2-enyl 2-(methylamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(methylamino)propanoate
PubChem CID123989445
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameprop-2-enyl 2-(methylamino)propanoate
SMILESC=CCOC(=O)C(C)NC
InChIInChI=1S/C7H13NO2/c1-4-5-10-7(9)6(2)8-3/h4,6,8H,1,5H2,2-3H3
InChIKeyJRRXIIYISMZGHC-UHFFFAOYSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 prop-2-enyl 2-(methylamino)propanoate?
The IUPAC name of prop-2-enyl 2-(methylamino)propanoate (CID 123989445) is prop-2-enyl 2-(methylamino)propanoate.
What is the SMILES notation for prop-2-enyl 2-(methylamino)propanoate?
The canonical SMILES for prop-2-enyl 2-(methylamino)propanoate is C=CCOC(=O)C(C)NC.
What is the InChIKey of prop-2-enyl 2-(methylamino)propanoate?
The InChIKey is JRRXIIYISMZGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-10-7(9)6(2)8-3/h4,6,8H,1,5H2,2-3H3.
What are the key properties of prop-2-enyl 2-(methylamino)propanoate?
prop-2-enyl 2-(methylamino)propanoate has a molecular weight of 143.19 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(methylamino)propanoate is sourced from PubChem (CID 123989445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).