2-(3-methoxypropanoylamino)ethyl prop-2-enoate

C9H15NO4 — CID 88987465

IUPAC2-(3-methoxypropanoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)CCOC
InChIInChI=1S/C9H15NO4/c1-3-9(12)14-7-5-10-8(11)4-6-13-2/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyFKQSTOPNDFYJFM-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.13
Rot. Bonds7

About 2-(3-methoxypropanoylamino)ethyl prop-2-enoate

2-(3-methoxypropanoylamino)ethyl prop-2-enoate (PubChem CID 88987465) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(3-methoxypropanoylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3-methoxypropanoylamino)ethyl prop-2-enoate
PubChem CID88987465
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(3-methoxypropanoylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)CCOC
InChIInChI=1S/C9H15NO4/c1-3-9(12)14-7-5-10-8(11)4-6-13-2/h3H,1,4-7H2,2H3,(H,10,11)
InChIKeyFKQSTOPNDFYJFM-UHFFFAOYSA-N
XLogP-0.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropanoylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(3-methoxypropanoylamino)ethyl prop-2-enoate (CID 88987465) is 2-(3-methoxypropanoylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3-methoxypropanoylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(3-methoxypropanoylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)CCOC.
What is the InChIKey of 2-(3-methoxypropanoylamino)ethyl prop-2-enoate?
The InChIKey is FKQSTOPNDFYJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-9(12)14-7-5-10-8(11)4-6-13-2/h3H,1,4-7H2,2H3,(H,10,11).
What are the key properties of 2-(3-methoxypropanoylamino)ethyl prop-2-enoate?
2-(3-methoxypropanoylamino)ethyl prop-2-enoate has a molecular weight of 201.22 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropanoylamino)ethyl prop-2-enoate is sourced from PubChem (CID 88987465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).