2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid

C5H7NO5 — CID 45482778

IUPAC2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid
SMILESCOC(=O)CNC(=O)C(=O)O
InChIInChI=1S/C5H7NO5/c1-11-3(7)2-6-4(8)5(9)10/h2H2,1H3,(H,6,8)(H,9,10)
InChIKeyBGKHVWHNYMGAJT-UHFFFAOYSA-N
MW161.11 g/mol
LogP-1.64
Rot. Bonds2

About 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid

2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid (PubChem CID 45482778) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid
PubChem CID45482778
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid
SMILESCOC(=O)CNC(=O)C(=O)O
InChIInChI=1S/C5H7NO5/c1-11-3(7)2-6-4(8)5(9)10/h2H2,1H3,(H,6,8)(H,9,10)
InChIKeyBGKHVWHNYMGAJT-UHFFFAOYSA-N
XLogP-1.64
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dimethyloxalylglycine
CID 560326
N-Oxalylglycine
CID 3080614
(Ethylcarbamoyl)formic acid
CID 12583007
N-Carbomethoxyglycine
CID 458491
N-Ethoxyacetylglycine
CID 134082
Hydroxyethyloxamic acid
CID 165301
[(2-Methoxyethyl)carbamoyl]formic acid
CID 16112027
Oxamic Acid/Ester, 25
CID 16112059
2-(2-Methoxy-2-oxoacetamido)acetic acid
CID 14991438
2-(2-Ethoxy-2-oxoacetamido)acetic acid
CID 45482712
Ethyl 2-hydroxyethyloxamate
CID 12253017
N-(Methoxyacetyl)glycine
CID 16775934

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid (CID 45482778) is 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid is COC(=O)CNC(=O)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid?
The InChIKey is BGKHVWHNYMGAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5/c1-11-3(7)2-6-4(8)5(9)10/h2H2,1H3,(H,6,8)(H,9,10).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid?
2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid has a molecular weight of 161.11 g/mol, XLogP of -1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 45482778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).