3-amino-2-methoxy-3-oxopropanoic acid

C4H7NO4 — CID 19373134

IUPAC3-amino-2-methoxy-3-oxopropanoic acid
SMILESCOC(C(N)=O)C(=O)O
InChIInChI=1S/C4H7NO4/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H2,5,6)(H,7,8)
InChIKeyQGRGKRGVZVUFIV-UHFFFAOYSA-N
MW133.10 g/mol
LogP-1.43
Rot. Bonds3

About 3-amino-2-methoxy-3-oxopropanoic acid

3-amino-2-methoxy-3-oxopropanoic acid (PubChem CID 19373134) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is 3-amino-2-methoxy-3-oxopropanoic acid.

Molecular Properties

Compound Name3-amino-2-methoxy-3-oxopropanoic acid
PubChem CID19373134
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name3-amino-2-methoxy-3-oxopropanoic acid
SMILESCOC(C(N)=O)C(=O)O
InChIInChI=1S/C4H7NO4/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H2,5,6)(H,7,8)
InChIKeyQGRGKRGVZVUFIV-UHFFFAOYSA-N
XLogP-1.43
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-3-oxopropanoic acid?
The IUPAC name of 3-amino-2-methoxy-3-oxopropanoic acid (CID 19373134) is 3-amino-2-methoxy-3-oxopropanoic acid.
What is the SMILES notation for 3-amino-2-methoxy-3-oxopropanoic acid?
The canonical SMILES for 3-amino-2-methoxy-3-oxopropanoic acid is COC(C(N)=O)C(=O)O.
What is the InChIKey of 3-amino-2-methoxy-3-oxopropanoic acid?
The InChIKey is QGRGKRGVZVUFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c1-9-2(3(5)6)4(7)8/h2H,1H3,(H2,5,6)(H,7,8).
What are the key properties of 3-amino-2-methoxy-3-oxopropanoic acid?
3-amino-2-methoxy-3-oxopropanoic acid has a molecular weight of 133.10 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-3-oxopropanoic acid is sourced from PubChem (CID 19373134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).