(3E)-3-hydroxyiminopropanoic acid

C3H5NO3 — CID 23423143

IUPAC(3E)-3-hydroxyiminopropanoic acid
SMILESO=C(O)C/C=N/O
InChIInChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+
InChIKeyXTKKYEXSKPSWOJ-DUXPYHPUSA-N
MW103.08 g/mol
LogP-0.08
Rot. Bonds2

About (3E)-3-hydroxyiminopropanoic acid

(3E)-3-hydroxyiminopropanoic acid (PubChem CID 23423143) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is (3E)-3-hydroxyiminopropanoic acid.

Molecular Properties

Compound Name(3E)-3-hydroxyiminopropanoic acid
PubChem CID23423143
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Name(3E)-3-hydroxyiminopropanoic acid
SMILESO=C(O)C/C=N/O
InChIInChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+
InChIKeyXTKKYEXSKPSWOJ-DUXPYHPUSA-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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Related Compounds

Propionate 3-nitronate
CID 124202406
2-Carboxyethylidene(dioxido)azanium
CID 102429903
3-(Hydroxyimino)propanoic acid
CID 71373854
beta-Methoxyiminopropionic acid
CID 87395209
2-Fluoro-4-hydroxyiminobutanoic acid
CID 139902184
3-Fluoro-4-hydroxyiminobutanoic acid
CID 139902185
3-aci-Nitropropionic acid
CID 11953817
3-aci-Nitropropanoate
CID 20843072
3-Aci-nitropropanoic acid
CID 6857357
3-Iminopropanoic acid
CID 20975750
3-Diazopropanoic acid
CID 22713225
(4E)-4-hydroxyiminobutanoic acid
CID 22992497

Frequently Asked Questions

What is the IUPAC name of (3E)-3-hydroxyiminopropanoic acid?
The IUPAC name of (3E)-3-hydroxyiminopropanoic acid (CID 23423143) is (3E)-3-hydroxyiminopropanoic acid.
What is the SMILES notation for (3E)-3-hydroxyiminopropanoic acid?
The canonical SMILES for (3E)-3-hydroxyiminopropanoic acid is O=C(O)C/C=N/O.
What is the InChIKey of (3E)-3-hydroxyiminopropanoic acid?
The InChIKey is XTKKYEXSKPSWOJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+.
What are the key properties of (3E)-3-hydroxyiminopropanoic acid?
(3E)-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 (3E)-3-hydroxyiminopropanoic acid is sourced from PubChem (CID 23423143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).