2-[formyl(hydroxy)amino]butanedioic acid

C5H7NO6 — CID 53324411

IUPAC2-[formyl(hydroxy)amino]butanedioic acid
SMILESO=CN(O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C5H7NO6/c7-2-6(12)3(5(10)11)1-4(8)9/h2-3,12H,1H2,(H,8,9)(H,10,11)
InChIKeyMRRJWJQTYKVNCC-UHFFFAOYSA-N
MW177.11 g/mol
LogP-1.24
Rot. Bonds5

About 2-[formyl(hydroxy)amino]butanedioic acid

2-[formyl(hydroxy)amino]butanedioic acid (PubChem CID 53324411) has the molecular formula C5H7NO6 and a molecular weight of 177.11 g/mol. Its IUPAC name is 2-[formyl(hydroxy)amino]butanedioic acid.

Molecular Properties

Compound Name2-[formyl(hydroxy)amino]butanedioic acid
PubChem CID53324411
Molecular FormulaC5H7NO6
Molecular Weight177.11 g/mol
Exact Mass177.03
IUPAC Name2-[formyl(hydroxy)amino]butanedioic acid
SMILESO=CN(O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C5H7NO6/c7-2-6(12)3(5(10)11)1-4(8)9/h2-3,12H,1H2,(H,8,9)(H,10,11)
InChIKeyMRRJWJQTYKVNCC-UHFFFAOYSA-N
XLogP-1.24
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.11
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 2-[formyl(hydroxy)amino]butanedioic acid?
The IUPAC name of 2-[formyl(hydroxy)amino]butanedioic acid (CID 53324411) is 2-[formyl(hydroxy)amino]butanedioic acid.
What is the SMILES notation for 2-[formyl(hydroxy)amino]butanedioic acid?
The canonical SMILES for 2-[formyl(hydroxy)amino]butanedioic acid is O=CN(O)C(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[formyl(hydroxy)amino]butanedioic acid?
The InChIKey is MRRJWJQTYKVNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO6/c7-2-6(12)3(5(10)11)1-4(8)9/h2-3,12H,1H2,(H,8,9)(H,10,11).
What are the key properties of 2-[formyl(hydroxy)amino]butanedioic acid?
2-[formyl(hydroxy)amino]butanedioic acid has a molecular weight of 177.11 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(hydroxy)amino]butanedioic acid is sourced from PubChem (CID 53324411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).