methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate

C6H9NO5 — CID 560326

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate
SMILESCOC(=O)CNC(=O)C(=O)OC
InChIInChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)
InChIKeyBNJOZDZCRHCODO-UHFFFAOYSA-N
MW175.14 g/mol
LogP-1.55
Rot. Bonds2

About methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate

methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate (PubChem CID 560326) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate
PubChem CID560326
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate
SMILESCOC(=O)CNC(=O)C(=O)OC
InChIInChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9)
InChIKeyBNJOZDZCRHCODO-UHFFFAOYSA-N
XLogP-1.55
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl acetamidoacetate
CID 74702
Methyl 2-acetamidoacetate
CID 517966
N-Ethoxyacetylglycine
CID 134082
Ethyl 2-(methylamino)-2-oxoacetate
CID 3413434
[(2-Methoxyethyl)carbamoyl]formic acid
CID 16112027
methyl (2S)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 14985583
2-(2-Methoxy-2-oxoacetamido)acetic acid
CID 14991438
Methyl 2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322547
2-(2-Ethoxy-2-oxoacetamido)acetic acid
CID 45482712
2-(2-Methoxy-2-oxoethylamino)-2-oxoacetic acid
CID 45482778
Methyl (methylcarbamoyl)formate
CID 12572713
methyl (2R)-2-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322930

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate (CID 560326) is methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate is COC(=O)CNC(=O)C(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate?
The InChIKey is BNJOZDZCRHCODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c1-11-4(8)3-7-5(9)6(10)12-2/h3H2,1-2H3,(H,7,9).
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate?
methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate has a molecular weight of 175.14 g/mol, XLogP of -1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetate is sourced from PubChem (CID 560326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).