methyl 2-(methylamino)-2-oxoacetate

C4H7NO3 — CID 12572713

IUPACmethyl 2-(methylamino)-2-oxoacetate
SMILESCNC(=O)C(=O)OC
InChIInChI=1S/C4H7NO3/c1-5-3(6)4(7)8-2/h1-2H3,(H,5,6)
InChIKeyBOUBGTOCRMNMLJ-UHFFFAOYSA-N
MW117.10 g/mol
LogP-1.09
Rot. Bonds

About methyl 2-(methylamino)-2-oxoacetate

methyl 2-(methylamino)-2-oxoacetate (PubChem CID 12572713) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is methyl 2-(methylamino)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-2-oxoacetate
PubChem CID12572713
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Namemethyl 2-(methylamino)-2-oxoacetate
SMILESCNC(=O)C(=O)OC
InChIInChI=1S/C4H7NO3/c1-5-3(6)4(7)8-2/h1-2H3,(H,5,6)
InChIKeyBOUBGTOCRMNMLJ-UHFFFAOYSA-N
XLogP-1.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-2-oxoacetate?
The IUPAC name of methyl 2-(methylamino)-2-oxoacetate (CID 12572713) is methyl 2-(methylamino)-2-oxoacetate.
What is the SMILES notation for methyl 2-(methylamino)-2-oxoacetate?
The canonical SMILES for methyl 2-(methylamino)-2-oxoacetate is CNC(=O)C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-2-oxoacetate?
The InChIKey is BOUBGTOCRMNMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-5-3(6)4(7)8-2/h1-2H3,(H,5,6).
What are the key properties of methyl 2-(methylamino)-2-oxoacetate?
methyl 2-(methylamino)-2-oxoacetate has a molecular weight of 117.10 g/mol, XLogP of -1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-2-oxoacetate is sourced from PubChem (CID 12572713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).