2-[(2-methoxy-2-oxoacetyl)amino]acetic acid

C5H7NO5 — CID 14991438

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

About 2-[(2-methoxy-2-oxoacetyl)amino]acetic acid

2-[(2-methoxy-2-oxoacetyl)amino]acetic acid (PubChem CID 14991438) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoacetyl)amino]acetic acid
PubChem CID14991438
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Name2-[(2-methoxy-2-oxoacetyl)amino]acetic acid
SMILESCOC(=O)C(=O)NCC(=O)O
InChIInChI=1S/C5H7NO5/c1-11-5(10)4(9)6-2-3(7)8/h2H2,1H3,(H,6,9)(H,7,8)
InChIKeySDXQWITYGOFRJF-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoacetyl)amino]acetic acid (CID 14991438) is 2-[(2-methoxy-2-oxoacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoacetyl)amino]acetic acid is COC(=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoacetyl)amino]acetic acid?
The InChIKey is SDXQWITYGOFRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5/c1-11-5(10)4(9)6-2-3(7)8/h2H2,1H3,(H,6,9)(H,7,8).
What are the key properties of 2-[(2-methoxy-2-oxoacetyl)amino]acetic acid?
2-[(2-methoxy-2-oxoacetyl)amino]acetic 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-oxoacetyl)amino]acetic acid is sourced from PubChem (CID 14991438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).