4-[formyl(hydroxy)amino]butanoic acid

C5H9NO4 — CID 53323062

IUPAC4-[formyl(hydroxy)amino]butanoic acid
SMILESO=CN(O)CCCC(=O)O
InChIInChI=1S/C5H9NO4/c7-4-6(10)3-1-2-5(8)9/h4,10H,1-3H2,(H,8,9)
InChIKeyWAGCDGWBFOVGPN-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.30
Rot. Bonds5

About 4-[formyl(hydroxy)amino]butanoic acid

4-[formyl(hydroxy)amino]butanoic acid (PubChem CID 53323062) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 4-[formyl(hydroxy)amino]butanoic acid.

Molecular Properties

Compound Name4-[formyl(hydroxy)amino]butanoic acid
PubChem CID53323062
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name4-[formyl(hydroxy)amino]butanoic acid
SMILESO=CN(O)CCCC(=O)O
InChIInChI=1S/C5H9NO4/c7-4-6(10)3-1-2-5(8)9/h4,10H,1-3H2,(H,8,9)
InChIKeyWAGCDGWBFOVGPN-UHFFFAOYSA-N
XLogP-0.30
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

4-[Formyl(hydroxy)amino]pentanoic acid
CID 53326897
4-[Acetyl(hydroxy)amino]butanoic acid
CID 56666828
4-(Methoxy(methyl)amino)-4-oxobutanoic acid
CID 43627689
4-[Formyl(methyl)amino]butanoic acid
CID 19820848
4-[Formyl-[(2-methylpropan-2-yl)oxy]amino]butanoic acid
CID 57158433
4-[Ethenoxy(formyl)amino]butanoic acid
CID 57210414
4-(Diformylamino)butanoic acid
CID 59869417
4-[Formyl(methoxycarbonyl)amino]butanoic acid
CID 101093754

Frequently Asked Questions

What is the IUPAC name of 4-[formyl(hydroxy)amino]butanoic acid?
The IUPAC name of 4-[formyl(hydroxy)amino]butanoic acid (CID 53323062) is 4-[formyl(hydroxy)amino]butanoic acid.
What is the SMILES notation for 4-[formyl(hydroxy)amino]butanoic acid?
The canonical SMILES for 4-[formyl(hydroxy)amino]butanoic acid is O=CN(O)CCCC(=O)O.
What is the InChIKey of 4-[formyl(hydroxy)amino]butanoic acid?
The InChIKey is WAGCDGWBFOVGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c7-4-6(10)3-1-2-5(8)9/h4,10H,1-3H2,(H,8,9).
What are the key properties of 4-[formyl(hydroxy)amino]butanoic acid?
4-[formyl(hydroxy)amino]butanoic acid has a molecular weight of 147.13 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(hydroxy)amino]butanoic acid is sourced from PubChem (CID 53323062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).