2-[formyl(hydroxy)amino]butanoic acid

C5H9NO4 — CID 13071925

IUPAC2-[formyl(hydroxy)amino]butanoic acid
SMILESCCC(C(=O)O)N(O)C=O
InChIInChI=1S/C5H9NO4/c1-2-4(5(8)9)6(10)3-7/h3-4,10H,2H2,1H3,(H,8,9)
InChIKeyBLYISKOLLAXZNO-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.30
Rot. Bonds4

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

2-[formyl(hydroxy)amino]butanoic acid (PubChem CID 13071925) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-[formyl(hydroxy)amino]butanoic acid.

Molecular Properties

Compound Name2-[formyl(hydroxy)amino]butanoic acid
PubChem CID13071925
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-[formyl(hydroxy)amino]butanoic acid
SMILESCCC(C(=O)O)N(O)C=O
InChIInChI=1S/C5H9NO4/c1-2-4(5(8)9)6(10)3-7/h3-4,10H,2H2,1H3,(H,8,9)
InChIKeyBLYISKOLLAXZNO-UHFFFAOYSA-N
XLogP-0.30
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.30
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]butanoic acid?
The IUPAC name of 2-[formyl(hydroxy)amino]butanoic acid (CID 13071925) is 2-[formyl(hydroxy)amino]butanoic acid.
What is the SMILES notation for 2-[formyl(hydroxy)amino]butanoic acid?
The canonical SMILES for 2-[formyl(hydroxy)amino]butanoic acid is CCC(C(=O)O)N(O)C=O.
What is the InChIKey of 2-[formyl(hydroxy)amino]butanoic acid?
The InChIKey is BLYISKOLLAXZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-2-4(5(8)9)6(10)3-7/h3-4,10H,2H2,1H3,(H,8,9).
What are the key properties of 2-[formyl(hydroxy)amino]butanoic acid?
2-[formyl(hydroxy)amino]butanoic acid has a molecular weight of 147.13 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(hydroxy)amino]butanoic acid is sourced from PubChem (CID 13071925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).