2-[[formyl(hydroxy)amino]methyl]butanoic acid

C6H11NO4 — CID 22390133

IUPAC2-[[formyl(hydroxy)amino]methyl]butanoic acid
SMILESCCC(CN(O)C=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-5(6(9)10)3-7(11)4-8/h4-5,11H,2-3H2,1H3,(H,9,10)
InChIKeyLFFCLCYCFKDWRT-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.06
Rot. Bonds5

About 2-[[formyl(hydroxy)amino]methyl]butanoic acid

2-[[formyl(hydroxy)amino]methyl]butanoic acid (PubChem CID 22390133) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-[[formyl(hydroxy)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[formyl(hydroxy)amino]methyl]butanoic acid
PubChem CID22390133
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-[[formyl(hydroxy)amino]methyl]butanoic acid
SMILESCCC(CN(O)C=O)C(=O)O
InChIInChI=1S/C6H11NO4/c1-2-5(6(9)10)3-7(11)4-8/h4-5,11H,2-3H2,1H3,(H,9,10)
InChIKeyLFFCLCYCFKDWRT-UHFFFAOYSA-N
XLogP-0.06
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]methyl]butanoic acid?
The IUPAC name of 2-[[formyl(hydroxy)amino]methyl]butanoic acid (CID 22390133) is 2-[[formyl(hydroxy)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[formyl(hydroxy)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[formyl(hydroxy)amino]methyl]butanoic acid is CCC(CN(O)C=O)C(=O)O.
What is the InChIKey of 2-[[formyl(hydroxy)amino]methyl]butanoic acid?
The InChIKey is LFFCLCYCFKDWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-2-5(6(9)10)3-7(11)4-8/h4-5,11H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-[[formyl(hydroxy)amino]methyl]butanoic acid?
2-[[formyl(hydroxy)amino]methyl]butanoic acid has a molecular weight of 161.16 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[formyl(hydroxy)amino]methyl]butanoic acid is sourced from PubChem (CID 22390133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).