ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate

C10H17NO3 — CID 166446542

IUPACethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate
SMILESC=C(CCN(C)C(C)=O)C(=O)OCC
InChIInChI=1S/C10H17NO3/c1-5-14-10(13)8(2)6-7-11(4)9(3)12/h2,5-7H2,1,3-4H3
InChIKeyUHKRHRPKPJSDKA-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds5

About ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate

ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate (PubChem CID 166446542) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate.

Molecular Properties

Compound Nameethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate
PubChem CID166446542
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate
SMILESC=C(CCN(C)C(C)=O)C(=O)OCC
InChIInChI=1S/C10H17NO3/c1-5-14-10(13)8(2)6-7-11(4)9(3)12/h2,5-7H2,1,3-4H3
InChIKeyUHKRHRPKPJSDKA-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
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 ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate?
The IUPAC name of ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate (CID 166446542) is ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate.
What is the SMILES notation for ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate?
The canonical SMILES for ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate is C=C(CCN(C)C(C)=O)C(=O)OCC.
What is the InChIKey of ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate?
The InChIKey is UHKRHRPKPJSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-14-10(13)8(2)6-7-11(4)9(3)12/h2,5-7H2,1,3-4H3.
What are the key properties of ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate?
ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate has a molecular weight of 199.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl(methyl)amino]-2-methylidenebutanoate is sourced from PubChem (CID 166446542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).