methyl 3-[ethenyl(formyl)amino]propanoate

C7H11NO3 — CID 10964771

IUPACmethyl 3-[ethenyl(formyl)amino]propanoate
SMILESC=CN(C=O)CCC(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-8(6-9)5-4-7(10)11-2/h3,6H,1,4-5H2,2H3
InChIKeyZIHXFBWGSVGPHY-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.15
Rot. Bonds5

About methyl 3-[ethenyl(formyl)amino]propanoate

methyl 3-[ethenyl(formyl)amino]propanoate (PubChem CID 10964771) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 3-[ethenyl(formyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethenyl(formyl)amino]propanoate
PubChem CID10964771
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 3-[ethenyl(formyl)amino]propanoate
SMILESC=CN(C=O)CCC(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-8(6-9)5-4-7(10)11-2/h3,6H,1,4-5H2,2H3
InChIKeyZIHXFBWGSVGPHY-UHFFFAOYSA-N
XLogP0.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[formyl(2-methylpropyl)amino]propanoate
CID 64992915
2-[(3-methoxy-3-oxopropyl)-prop-2-enoylamino]acetic acid
CID 89333212
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
CID 114448928
methyl hepta-4,6-dienoate
CID 53405107
methyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486283
methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide
CID 175531341
methyl 3-[ethyl(prop-2-enylsulfonyl)amino]propanoate
CID 79673015
methyl 3-[2-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethylamino]propanoate
CID 88970270

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethenyl(formyl)amino]propanoate?
The IUPAC name of methyl 3-[ethenyl(formyl)amino]propanoate (CID 10964771) is methyl 3-[ethenyl(formyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethenyl(formyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethenyl(formyl)amino]propanoate is C=CN(C=O)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethenyl(formyl)amino]propanoate?
The InChIKey is ZIHXFBWGSVGPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-8(6-9)5-4-7(10)11-2/h3,6H,1,4-5H2,2H3.
What are the key properties of methyl 3-[ethenyl(formyl)amino]propanoate?
methyl 3-[ethenyl(formyl)amino]propanoate has a molecular weight of 157.17 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethenyl(formyl)amino]propanoate is sourced from PubChem (CID 10964771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).