(2E)-2-oxidoiminopropanoic acid

C3H4NO3- — CID 54740342

IUPAC(2E)-2-oxidoiminopropanoic acid
SMILESC/C(=N\[O-])C(=O)O
InChIInChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/p-1/b4-2+
InChIKeyMVGBKLTYYAYYGY-DUXPYHPUSA-M
MW102.07 g/mol
LogP0.03
Rot. Bonds1

About (2E)-2-oxidoiminopropanoic acid

(2E)-2-oxidoiminopropanoic acid (PubChem CID 54740342) has the molecular formula C3H4NO3- and a molecular weight of 102.07 g/mol. Its IUPAC name is (2E)-2-oxidoiminopropanoic acid.

Molecular Properties

Compound Name(2E)-2-oxidoiminopropanoic acid
PubChem CID54740342
Molecular FormulaC3H4NO3-
Molecular Weight102.07 g/mol
Exact Mass102.02
IUPAC Name(2E)-2-oxidoiminopropanoic acid
SMILESC/C(=N\[O-])C(=O)O
InChIInChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/p-1/b4-2+
InChIKeyMVGBKLTYYAYYGY-DUXPYHPUSA-M
XLogP0.03
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-oxidoiminopropanoic acid?
The IUPAC name of (2E)-2-oxidoiminopropanoic acid (CID 54740342) is (2E)-2-oxidoiminopropanoic acid.
What is the SMILES notation for (2E)-2-oxidoiminopropanoic acid?
The canonical SMILES for (2E)-2-oxidoiminopropanoic acid is C/C(=N\[O-])C(=O)O.
What is the InChIKey of (2E)-2-oxidoiminopropanoic acid?
The InChIKey is MVGBKLTYYAYYGY-DUXPYHPUSA-M. The full InChI is InChI=1S/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)/p-1/b4-2+.
What are the key properties of (2E)-2-oxidoiminopropanoic acid?
(2E)-2-oxidoiminopropanoic acid has a molecular weight of 102.07 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-oxidoiminopropanoic acid is sourced from PubChem (CID 54740342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).