methyl 2-(prop-2-enylamino)propanoate

C7H13NO2 — CID 19076105

IUPACmethyl 2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-5-8-6(2)7(9)10-3/h4,6,8H,1,5H2,2-3H3
InChIKeyBZBVVLTTYUDWGR-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.32
Rot. Bonds4

About methyl 2-(prop-2-enylamino)propanoate

methyl 2-(prop-2-enylamino)propanoate (PubChem CID 19076105) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 2-(prop-2-enylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(prop-2-enylamino)propanoate
PubChem CID19076105
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 2-(prop-2-enylamino)propanoate
SMILESC=CCNC(C)C(=O)OC
InChIInChI=1S/C7H13NO2/c1-4-5-8-6(2)7(9)10-3/h4,6,8H,1,5H2,2-3H3
InChIKeyBZBVVLTTYUDWGR-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 methyl 2-(prop-2-enylamino)propanoate?
The IUPAC name of methyl 2-(prop-2-enylamino)propanoate (CID 19076105) is methyl 2-(prop-2-enylamino)propanoate.
What is the SMILES notation for methyl 2-(prop-2-enylamino)propanoate?
The canonical SMILES for methyl 2-(prop-2-enylamino)propanoate is C=CCNC(C)C(=O)OC.
What is the InChIKey of methyl 2-(prop-2-enylamino)propanoate?
The InChIKey is BZBVVLTTYUDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-8-6(2)7(9)10-3/h4,6,8H,1,5H2,2-3H3.
What are the key properties of methyl 2-(prop-2-enylamino)propanoate?
methyl 2-(prop-2-enylamino)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 methyl 2-(prop-2-enylamino)propanoate is sourced from PubChem (CID 19076105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).