3-hydroxyiminopropanoic acid

C3H5NO3 — CID 71373854

IUPAC3-hydroxyiminopropanoic acid
SMILESO=C(O)CC=NO
InChIInChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)
InChIKeyXTKKYEXSKPSWOJ-UHFFFAOYSA-N
MW103.08 g/mol
LogP-0.08
Rot. Bonds2

About 3-hydroxyiminopropanoic acid

3-hydroxyiminopropanoic acid (PubChem CID 71373854) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is 3-hydroxyiminopropanoic acid.

Molecular Properties

Compound Name3-hydroxyiminopropanoic acid
PubChem CID71373854
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Name3-hydroxyiminopropanoic acid
SMILESO=C(O)CC=NO
InChIInChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)
InChIKeyXTKKYEXSKPSWOJ-UHFFFAOYSA-N
XLogP-0.08
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 3-hydroxyiminopropanoic acid?
The IUPAC name of 3-hydroxyiminopropanoic acid (CID 71373854) is 3-hydroxyiminopropanoic acid.
What is the SMILES notation for 3-hydroxyiminopropanoic acid?
The canonical SMILES for 3-hydroxyiminopropanoic acid is O=C(O)CC=NO.
What is the InChIKey of 3-hydroxyiminopropanoic acid?
The InChIKey is XTKKYEXSKPSWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6).
What are the key properties of 3-hydroxyiminopropanoic acid?
3-hydroxyiminopropanoic acid has a molecular weight of 103.08 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyiminopropanoic acid is sourced from PubChem (CID 71373854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).