ethyl 3-(methylamino)-3-oxopropanoate

C6H11NO3 — CID 11321015

IUPACethyl 3-(methylamino)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NC
InChIInChI=1S/C6H11NO3/c1-3-10-6(9)4-5(8)7-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyVWTRXRCWWIJCCQ-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.31
Rot. Bonds3

About ethyl 3-(methylamino)-3-oxopropanoate

ethyl 3-(methylamino)-3-oxopropanoate (PubChem CID 11321015) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 3-(methylamino)-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-(methylamino)-3-oxopropanoate
PubChem CID11321015
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl 3-(methylamino)-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NC
InChIInChI=1S/C6H11NO3/c1-3-10-6(9)4-5(8)7-2/h3-4H2,1-2H3,(H,7,8)
InChIKeyVWTRXRCWWIJCCQ-UHFFFAOYSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(methylamino)-3-oxopropanoate?
The IUPAC name of ethyl 3-(methylamino)-3-oxopropanoate (CID 11321015) is ethyl 3-(methylamino)-3-oxopropanoate.
What is the SMILES notation for ethyl 3-(methylamino)-3-oxopropanoate?
The canonical SMILES for ethyl 3-(methylamino)-3-oxopropanoate is CCOC(=O)CC(=O)NC.
What is the InChIKey of ethyl 3-(methylamino)-3-oxopropanoate?
The InChIKey is VWTRXRCWWIJCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-10-6(9)4-5(8)7-2/h3-4H2,1-2H3,(H,7,8).
What are the key properties of ethyl 3-(methylamino)-3-oxopropanoate?
ethyl 3-(methylamino)-3-oxopropanoate has a molecular weight of 145.16 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(methylamino)-3-oxopropanoate is sourced from PubChem (CID 11321015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).