4-[acetyl(hydroxy)amino]butanoic acid

C6H11NO4 — CID 56666828

IUPAC4-[acetyl(hydroxy)amino]butanoic acid
SMILESCC(=O)N(O)CCCC(=O)O
InChIInChI=1S/C6H11NO4/c1-5(8)7(11)4-2-3-6(9)10/h11H,2-4H2,1H3,(H,9,10)
InChIKeyBQRNDEKPGANRRR-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.09
Rot. Bonds4

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

4-[acetyl(hydroxy)amino]butanoic acid (PubChem CID 56666828) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-[acetyl(hydroxy)amino]butanoic acid.

Molecular Properties

Compound Name4-[acetyl(hydroxy)amino]butanoic acid
PubChem CID56666828
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name4-[acetyl(hydroxy)amino]butanoic acid
SMILESCC(=O)N(O)CCCC(=O)O
InChIInChI=1S/C6H11NO4/c1-5(8)7(11)4-2-3-6(9)10/h11H,2-4H2,1H3,(H,9,10)
InChIKeyBQRNDEKPGANRRR-UHFFFAOYSA-N
XLogP0.09
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4-[acetyl(hydroxy)amino]butanoic acid?
The IUPAC name of 4-[acetyl(hydroxy)amino]butanoic acid (CID 56666828) is 4-[acetyl(hydroxy)amino]butanoic acid.
What is the SMILES notation for 4-[acetyl(hydroxy)amino]butanoic acid?
The canonical SMILES for 4-[acetyl(hydroxy)amino]butanoic acid is CC(=O)N(O)CCCC(=O)O.
What is the InChIKey of 4-[acetyl(hydroxy)amino]butanoic acid?
The InChIKey is BQRNDEKPGANRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-5(8)7(11)4-2-3-6(9)10/h11H,2-4H2,1H3,(H,9,10).
What are the key properties of 4-[acetyl(hydroxy)amino]butanoic acid?
4-[acetyl(hydroxy)amino]butanoic acid has a molecular weight of 161.16 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(hydroxy)amino]butanoic acid is sourced from PubChem (CID 56666828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).