2-hydroxy-4-imino-3-oxobutanoic acid

C4H5NO4 — CID 154477495

IUPAC2-hydroxy-4-imino-3-oxobutanoic acid
SMILES[H]/N=C/C(=O)C(O)C(=O)O
InChIInChI=1S/C4H5NO4/c5-1-2(6)3(7)4(8)9/h1,3,5,7H,(H,8,9)/b5-1+
InChIKeyAXKWPHAUMSAEEC-ORCRQEGFSA-N
MW131.09 g/mol
LogP-1.35
Rot. Bonds3

About 2-hydroxy-4-imino-3-oxobutanoic acid

2-hydroxy-4-imino-3-oxobutanoic acid (PubChem CID 154477495) has the molecular formula C4H5NO4 and a molecular weight of 131.09 g/mol. Its IUPAC name is 2-hydroxy-4-imino-3-oxobutanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-imino-3-oxobutanoic acid
PubChem CID154477495
Molecular FormulaC4H5NO4
Molecular Weight131.09 g/mol
Exact Mass131.02
IUPAC Name2-hydroxy-4-imino-3-oxobutanoic acid
SMILES[H]/N=C/C(=O)C(O)C(=O)O
InChIInChI=1S/C4H5NO4/c5-1-2(6)3(7)4(8)9/h1,3,5,7H,(H,8,9)/b5-1+
InChIKeyAXKWPHAUMSAEEC-ORCRQEGFSA-N
XLogP-1.35
TPSA98.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-imino-2-methoxy-3-oxobutanoic acid
CID 57243564
3-amino-1-iminobutan-2-one
CID 174343794
2-iminoacetic acid;hydrobromide
CID 175483406
2-iminoacetic acid;methane
CID 174572824
(2S)-6-imino-2-methyl-5-oxohexanoic acid
CID 177044408
(E)-2,3-dihydroxypent-3-enoic acid
CID 173482336
(E)-3-hydroxy-2-methanimidoylbut-2-enoic acid
CID 135706819
(E)-5-hydroxy-4-methanimidoyl-2,6-dimethylhept-4-en-3-one
CID 135746746
(2S)-2-hydroxy-3-oxobutanoic acid
CID 45085131
1-[1-(3,3-dihydroxyprop-1-en-2-yl)cyclopropyl]-2-iminoethanone
CID 130240709
2-hydroxy-N'-(4-imino-1,3-dioxobutan-2-yl)ethanimidamide
CID 91137349
(2S)-2-cyclohexyl-2-(2,3-diiminopropanoylamino)acetic acid
CID 144635125

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-imino-3-oxobutanoic acid?
The IUPAC name of 2-hydroxy-4-imino-3-oxobutanoic acid (CID 154477495) is 2-hydroxy-4-imino-3-oxobutanoic acid.
What is the SMILES notation for 2-hydroxy-4-imino-3-oxobutanoic acid?
The canonical SMILES for 2-hydroxy-4-imino-3-oxobutanoic acid is [H]/N=C/C(=O)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-imino-3-oxobutanoic acid?
The InChIKey is AXKWPHAUMSAEEC-ORCRQEGFSA-N. The full InChI is InChI=1S/C4H5NO4/c5-1-2(6)3(7)4(8)9/h1,3,5,7H,(H,8,9)/b5-1+.
What are the key properties of 2-hydroxy-4-imino-3-oxobutanoic acid?
2-hydroxy-4-imino-3-oxobutanoic acid has a molecular weight of 131.09 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-imino-3-oxobutanoic acid is sourced from PubChem (CID 154477495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).