4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid

C16H30N4O7 — CID 24883441

IUPAC4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid
SMILESNCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C16H30N4O7/c17-9-1-3-11-19(26)14(22)6-5-13(21)18-10-2-4-12-20(27)15(23)7-8-16(24)25/h26-27H,1-12,17H2,(H,18,21)(H,24,25)
InChIKeyMMTPETIUERTJQL-UHFFFAOYSA-N
MW390.44 g/mol
LogP-0.30
Rot. Bonds15

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

4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid (PubChem CID 24883441) has the molecular formula C16H30N4O7 and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid
PubChem CID24883441
Molecular FormulaC16H30N4O7
Molecular Weight390.44 g/mol
Exact Mass390.21
IUPAC Name4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid
SMILESNCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C16H30N4O7/c17-9-1-3-11-19(26)14(22)6-5-13(21)18-10-2-4-12-20(27)15(23)7-8-16(24)25/h26-27H,1-12,17H2,(H,18,21)(H,24,25)
InChIKeyMMTPETIUERTJQL-UHFFFAOYSA-N
XLogP-0.30
TPSA173.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 5-0.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid (CID 24883441) is 4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid is NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)O.
What is the InChIKey of 4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid?
The InChIKey is MMTPETIUERTJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O7/c17-9-1-3-11-19(26)14(22)6-5-13(21)18-10-2-4-12-20(27)15(23)7-8-16(24)25/h26-27H,1-12,17H2,(H,18,21)(H,24,25).
What are the key properties of 4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid?
4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid has a molecular weight of 390.44 g/mol, XLogP of -0.30, 15 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]butyl-hydroxyamino]-4-oxobutanoic acid is sourced from PubChem (CID 24883441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).