4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid

C8H16N2O4 — CID 16654923

IUPAC4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid
SMILESNCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C8H16N2O4/c9-5-1-2-6-10(14)7(11)3-4-8(12)13/h14H,1-6,9H2,(H,12,13)
InChIKeyHJMSTRBGVUJGAI-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.19
Rot. Bonds7

About 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid

4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid (PubChem CID 16654923) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid
PubChem CID16654923
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid
SMILESNCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C8H16N2O4/c9-5-1-2-6-10(14)7(11)3-4-8(12)13/h14H,1-6,9H2,(H,12,13)
InChIKeyHJMSTRBGVUJGAI-UHFFFAOYSA-N
XLogP-0.19
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid (CID 16654923) is 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid is NCCCCN(O)C(=O)CCC(=O)O.
What is the InChIKey of 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid?
The InChIKey is HJMSTRBGVUJGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c9-5-1-2-6-10(14)7(11)3-4-8(12)13/h14H,1-6,9H2,(H,12,13).
What are the key properties of 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid?
4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoic acid is sourced from PubChem (CID 16654923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).