methyl 2-(prop-2-enoylamino)acetate

C6H9NO3 — CID 6429410

IUPACmethyl 2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NCC(=O)OC
InChIInChI=1S/C6H9NO3/c1-3-5(8)7-4-6(9)10-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeyGPXGYCOUOXWPOW-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.54
Rot. Bonds3

About methyl 2-(prop-2-enoylamino)acetate

methyl 2-(prop-2-enoylamino)acetate (PubChem CID 6429410) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 2-(prop-2-enoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(prop-2-enoylamino)acetate
PubChem CID6429410
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NCC(=O)OC
InChIInChI=1S/C6H9NO3/c1-3-5(8)7-4-6(9)10-2/h3H,1,4H2,2H3,(H,7,8)
InChIKeyGPXGYCOUOXWPOW-UHFFFAOYSA-N
XLogP-0.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(prop-2-enoylamino)acetate?
The IUPAC name of methyl 2-(prop-2-enoylamino)acetate (CID 6429410) is methyl 2-(prop-2-enoylamino)acetate.
What is the SMILES notation for methyl 2-(prop-2-enoylamino)acetate?
The canonical SMILES for methyl 2-(prop-2-enoylamino)acetate is C=CC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(prop-2-enoylamino)acetate?
The InChIKey is GPXGYCOUOXWPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3-5(8)7-4-6(9)10-2/h3H,1,4H2,2H3,(H,7,8).
What are the key properties of methyl 2-(prop-2-enoylamino)acetate?
methyl 2-(prop-2-enoylamino)acetate has a molecular weight of 143.14 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(prop-2-enoylamino)acetate is sourced from PubChem (CID 6429410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).