4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid

C16H28F2N4O7 — CID 163109056

IUPAC4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid
SMILESNCC(F)CCN(O)C(=O)CCC(=O)NCC(F)CCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C16H28F2N4O7/c17-11(9-19)5-7-21(28)14(24)2-1-13(23)20-10-12(18)6-8-22(29)15(25)3-4-16(26)27/h11-12,28-29H,1-10,19H2,(H,20,23)(H,26,27)
InChIKeyGODKZLVWLHWAIC-UHFFFAOYSA-N
MW426.42 g/mol
LogP-0.40
Rot. Bonds15

About 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid

4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid (PubChem CID 163109056) has the molecular formula C16H28F2N4O7 and a molecular weight of 426.42 g/mol. Its IUPAC name is 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid
PubChem CID163109056
Molecular FormulaC16H28F2N4O7
Molecular Weight426.42 g/mol
Exact Mass426.19
IUPAC Name4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid
SMILESNCC(F)CCN(O)C(=O)CCC(=O)NCC(F)CCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C16H28F2N4O7/c17-11(9-19)5-7-21(28)14(24)2-1-13(23)20-10-12(18)6-8-22(29)15(25)3-4-16(26)27/h11-12,28-29H,1-10,19H2,(H,20,23)(H,26,27)
InChIKeyGODKZLVWLHWAIC-UHFFFAOYSA-N
XLogP-0.40
TPSA173.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 5-0.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid
CID 163110260
4-[[4-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]-3-fluorobutyl]amino]-4-oxobutanoic acid
CID 163108984
4-[5-[[4-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
CID 175663380
4-[5-[hydroxy-[4-[5-[hydroxy(10-methylundecanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylamino]-4-oxobutanoic acid
CID 163181898
4-[hydroxy-[5-[[4-[hydroxy(5-hydroxypentyl)amino]-4-oxobutanoyl]amino]pentyl]amino]-4-oxobutanoic acid
CID 71613703
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;bis(2-aminopentanedioic acid);azane
CID 173288984
butanedioic acid;fluoroform
CID 159416748
N'-(5-aminopentyl)-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(3-hydroxypentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 154585426
N-(3-amino-2-hydroxypropyl)-3-[[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]-[2-[bis[2-[bis[3-[(3-amino-2-hydroxypropyl)amino]-3-oxopropyl]amino]ethyl]amino]ethyl]amino]propanamide
CID 118288451
N-(5-acetamidopentyl)-N'-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 175363738
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 154585411
4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid
CID 156733974

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid (CID 163109056) is 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid is NCC(F)CCN(O)C(=O)CCC(=O)NCC(F)CCN(O)C(=O)CCC(=O)O.
What is the InChIKey of 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid?
The InChIKey is GODKZLVWLHWAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N4O7/c17-11(9-19)5-7-21(28)14(24)2-1-13(23)20-10-12(18)6-8-22(29)15(25)3-4-16(26)27/h11-12,28-29H,1-10,19H2,(H,20,23)(H,26,27).
What are the key properties of 4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid?
4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid has a molecular weight of 426.42 g/mol, XLogP of -0.40, 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-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid is sourced from PubChem (CID 163109056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).