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

C18H30F2N4O8 — CID 163110260

IUPAC4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid
SMILESCC(=O)NCC(F)CCN(O)C(=O)CCC(=O)NCC(F)CCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C18H30F2N4O8/c1-12(25)21-10-13(19)6-8-23(31)16(27)3-2-15(26)22-11-14(20)7-9-24(32)17(28)4-5-18(29)30/h13-14,31-32H,2-11H2,1H3,(H,21,25)(H,22,26)(H,29,30)
InChIKeyJVBOGZSMHMRNAM-UHFFFAOYSA-N
MW468.45 g/mol
LogP-0.22
Rot. Bonds16

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

4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid (PubChem CID 163110260) has the molecular formula C18H30F2N4O8 and a molecular weight of 468.45 g/mol. Its IUPAC name is 4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid
PubChem CID163110260
Molecular FormulaC18H30F2N4O8
Molecular Weight468.45 g/mol
Exact Mass468.20
IUPAC Name4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid
SMILESCC(=O)NCC(F)CCN(O)C(=O)CCC(=O)NCC(F)CCN(O)C(=O)CCC(=O)O
InChIInChI=1S/C18H30F2N4O8/c1-12(25)21-10-13(19)6-8-23(31)16(27)3-2-15(26)22-11-14(20)7-9-24(32)17(28)4-5-18(29)30/h13-14,31-32H,2-11H2,1H3,(H,21,25)(H,22,26)(H,29,30)
InChIKeyJVBOGZSMHMRNAM-UHFFFAOYSA-N
XLogP-0.22
TPSA176.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 5-0.22
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'}

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Related Compounds

4-[[4-[[4-[(4-amino-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid
CID 163109056
4-[[4-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]-3-fluorobutyl]amino]-4-oxobutanoic acid
CID 163108984
4-[5-[hydroxy-[4-[5-[hydroxy(10-methylundecanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentylamino]-4-oxobutanoic acid
CID 163181898
2-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]-propan-2-ylamino]acetic acid
CID 119198365
N'-[5-[[4-[5-acetamidopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxybutanediamide
CID 10008761
4-[hydroxy-[5-[[4-[hydroxy(5-hydroxypentyl)amino]-4-oxobutanoyl]amino]pentyl]amino]-4-oxobutanoic acid
CID 71613703
4-[5-[[4-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
CID 175663380
N-(5-acetamidopentyl)-N'-[5-[[4-[5-aminopentyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl]-N'-hydroxybutanediamide
CID 175363738
N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;bis(2-aminopentanedioic acid);azane
CID 173288984
5-(6-acetamidohexanoylamino)-4-methylpentanoic acid
CID 82682930
4-[8-(dimethylamino)octyl-hydroxyamino]-4-oxobutanoic acid
CID 46899763
4-acetamido-5,5-difluoropentanoic acid
CID 13050370

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid (CID 163110260) is 4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid is CC(=O)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-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid?
The InChIKey is JVBOGZSMHMRNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F2N4O8/c1-12(25)21-10-13(19)6-8-23(31)16(27)3-2-15(26)22-11-14(20)7-9-24(32)17(28)4-5-18(29)30/h13-14,31-32H,2-11H2,1H3,(H,21,25)(H,22,26)(H,29,30).
What are the key properties of 4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid?
4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid has a molecular weight of 468.45 g/mol, XLogP of -0.22, 16 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(4-acetamido-3-fluorobutyl)-hydroxyamino]-4-oxobutanoyl]amino]-3-fluorobutyl]-hydroxyamino]-4-oxobutanoic acid is sourced from PubChem (CID 163110260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).