4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid

C16H20N2O7 — CID 50916877

IUPAC4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid
SMILESO=C(CCCCCCC(=O)Nc1ccc(C(=O)O)c(C(=O)O)c1)NO
InChIInChI=1S/C16H20N2O7/c19-13(5-3-1-2-4-6-14(20)18-25)17-10-7-8-11(15(21)22)12(9-10)16(23)24/h7-9,25H,1-6H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)
InChIKeyCZXXAPKWOKUZJW-UHFFFAOYSA-N
MW352.34 g/mol
LogP1.87
Rot. Bonds10

About 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid

4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid (PubChem CID 50916877) has the molecular formula C16H20N2O7 and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid.

Molecular Properties

Compound Name4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid
PubChem CID50916877
Molecular FormulaC16H20N2O7
Molecular Weight352.34 g/mol
Exact Mass352.13
IUPAC Name4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid
SMILESO=C(CCCCCCC(=O)Nc1ccc(C(=O)O)c(C(=O)O)c1)NO
InChIInChI=1S/C16H20N2O7/c19-13(5-3-1-2-4-6-14(20)18-25)17-10-7-8-11(15(21)22)12(9-10)16(23)24/h7-9,25H,1-6H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)
InChIKeyCZXXAPKWOKUZJW-UHFFFAOYSA-N
XLogP1.87
TPSA153.03 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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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Related Compounds

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2-bromo-5-(pentanoylamino)benzoic acid
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5-(4-aminobutanoylamino)-2-bromobenzoic acid
CID 115296408
5-(4-aminobutanoylamino)-2-fluorobenzoic acid
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N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
2-bromo-5-(4-ethoxybutanoylamino)benzoic acid
CID 113281018
2-chloro-5-(3-chloropropanoylamino)benzoic acid
CID 43701853
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid?
The IUPAC name of 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid (CID 50916877) is 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid.
What is the SMILES notation for 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid?
The canonical SMILES for 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid is O=C(CCCCCCC(=O)Nc1ccc(C(=O)O)c(C(=O)O)c1)NO.
What is the InChIKey of 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid?
The InChIKey is CZXXAPKWOKUZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O7/c19-13(5-3-1-2-4-6-14(20)18-25)17-10-7-8-11(15(21)22)12(9-10)16(23)24/h7-9,25H,1-6H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24).
What are the key properties of 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid?
4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid has a molecular weight of 352.34 g/mol, XLogP of 1.87, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phthalic acid is sourced from PubChem (CID 50916877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).