methyl 3-[ethyl(prop-2-enoyl)amino]propanoate

C9H15NO3 — CID 61008287

IUPACmethyl 3-[ethyl(prop-2-enoyl)amino]propanoate
SMILESC=CC(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C9H15NO3/c1-4-8(11)10(5-2)7-6-9(12)13-3/h4H,1,5-7H2,2-3H3
InChIKeyDYKZSEKJBRNVCY-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.58
Rot. Bonds5

About methyl 3-[ethyl(prop-2-enoyl)amino]propanoate

methyl 3-[ethyl(prop-2-enoyl)amino]propanoate (PubChem CID 61008287) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 3-[ethyl(prop-2-enoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl(prop-2-enoyl)amino]propanoate
PubChem CID61008287
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 3-[ethyl(prop-2-enoyl)amino]propanoate
SMILESC=CC(=O)N(CC)CCC(=O)OC
InChIInChI=1S/C9H15NO3/c1-4-8(11)10(5-2)7-6-9(12)13-3/h4H,1,5-7H2,2-3H3
InChIKeyDYKZSEKJBRNVCY-UHFFFAOYSA-N
XLogP0.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.58
H-Bond Donors ≤ 50
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 3-[ethyl(prop-2-enoyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl(prop-2-enoyl)amino]propanoate (CID 61008287) is methyl 3-[ethyl(prop-2-enoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl(prop-2-enoyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl(prop-2-enoyl)amino]propanoate is C=CC(=O)N(CC)CCC(=O)OC.
What is the InChIKey of methyl 3-[ethyl(prop-2-enoyl)amino]propanoate?
The InChIKey is DYKZSEKJBRNVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-8(11)10(5-2)7-6-9(12)13-3/h4H,1,5-7H2,2-3H3.
What are the key properties of methyl 3-[ethyl(prop-2-enoyl)amino]propanoate?
methyl 3-[ethyl(prop-2-enoyl)amino]propanoate has a molecular weight of 185.22 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl(prop-2-enoyl)amino]propanoate is sourced from PubChem (CID 61008287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).