methyl 2-(dimethylamino)-2-oxoacetate

C5H9NO3 — CID 13280608

IUPACmethyl 2-(dimethylamino)-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)C
InChIInChI=1S/C5H9NO3/c1-6(2)4(7)5(8)9-3/h1-3H3
InChIKeyUGNSBLQYRJEDHD-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.75
Rot. Bonds

About methyl 2-(dimethylamino)-2-oxoacetate

methyl 2-(dimethylamino)-2-oxoacetate (PubChem CID 13280608) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-oxoacetate
PubChem CID13280608
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethyl 2-(dimethylamino)-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)C
InChIInChI=1S/C5H9NO3/c1-6(2)4(7)5(8)9-3/h1-3H3
InChIKeyUGNSBLQYRJEDHD-UHFFFAOYSA-N
XLogP-0.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
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-(dimethylamino)-2-oxoacetate?
The IUPAC name of methyl 2-(dimethylamino)-2-oxoacetate (CID 13280608) is methyl 2-(dimethylamino)-2-oxoacetate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-oxoacetate?
The canonical SMILES for methyl 2-(dimethylamino)-2-oxoacetate is COC(=O)C(=O)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-oxoacetate?
The InChIKey is UGNSBLQYRJEDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-6(2)4(7)5(8)9-3/h1-3H3.
What are the key properties of methyl 2-(dimethylamino)-2-oxoacetate?
methyl 2-(dimethylamino)-2-oxoacetate has a molecular weight of 131.13 g/mol, XLogP of -0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-oxoacetate is sourced from PubChem (CID 13280608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).