ethyl 2-(methylamino)-2-oxoacetate

C5H9NO3 — CID 3413434

IUPACethyl 2-(methylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC
InChIInChI=1S/C5H9NO3/c1-3-9-5(8)4(7)6-2/h3H2,1-2H3,(H,6,7)
InChIKeyGVQZKKPQRSZDPW-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.70
Rot. Bonds1

About ethyl 2-(methylamino)-2-oxoacetate

ethyl 2-(methylamino)-2-oxoacetate (PubChem CID 3413434) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is ethyl 2-(methylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-2-oxoacetate
PubChem CID3413434
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameethyl 2-(methylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC
InChIInChI=1S/C5H9NO3/c1-3-9-5(8)4(7)6-2/h3H2,1-2H3,(H,6,7)
InChIKeyGVQZKKPQRSZDPW-UHFFFAOYSA-N
XLogP-0.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethyloxalylglycine
CID 560326
Ethyl N,N-dimethyloxamate
CID 85553
N-Ethoxyacetylglycine
CID 134082
2-(2-Ethoxy-2-oxoacetamido)acetic acid
CID 45482712
Methyl (methylcarbamoyl)formate
CID 12572713
Ethyl (ethylamino)(oxo)acetate
CID 3413435
Ethyl oxo(prop-2-yn-1-ylamino)acetate
CID 57447262
Acetic acid, 2-oxo-2-[(2,2,2-trifluoroethyl)amino]-, ethyl ester
CID 59313622
Acetic acid, 2-oxo-2-(propylamino)-, ethyl ester
CID 3412779
Oxalic acid, monoamide, n-propyl, propyl ester
CID 6420314
2-(Methylamino)-2-oxoethyl acetate
CID 14371775
Ethyl N-(ethoxy(oxo)acetyl)glycinate
CID 2779372

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(methylamino)-2-oxoacetate (CID 3413434) is ethyl 2-(methylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(methylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(methylamino)-2-oxoacetate is CCOC(=O)C(=O)NC.
What is the InChIKey of ethyl 2-(methylamino)-2-oxoacetate?
The InChIKey is GVQZKKPQRSZDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-9-5(8)4(7)6-2/h3H2,1-2H3,(H,6,7).
What are the key properties of ethyl 2-(methylamino)-2-oxoacetate?
ethyl 2-(methylamino)-2-oxoacetate has a molecular weight of 131.13 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-2-oxoacetate is sourced from PubChem (CID 3413434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).