2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid

C9H16N2O5 — CID 166001549

IUPAC2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid
SMILESNC(CCCCCC(=O)C(=O)NO)C(=O)O
InChIInChI=1S/C9H16N2O5/c10-6(9(14)15)4-2-1-3-5-7(12)8(13)11-16/h6,16H,1-5,10H2,(H,11,13)(H,14,15)
InChIKeyZTNFIKNQNGZNIY-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.58
Rot. Bonds8

About 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid

2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid (PubChem CID 166001549) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid.

Molecular Properties

Compound Name2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid
PubChem CID166001549
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid
SMILESNC(CCCCCC(=O)C(=O)NO)C(=O)O
InChIInChI=1S/C9H16N2O5/c10-6(9(14)15)4-2-1-3-5-7(12)8(13)11-16/h6,16H,1-5,10H2,(H,11,13)(H,14,15)
InChIKeyZTNFIKNQNGZNIY-UHFFFAOYSA-N
XLogP-0.58
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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

(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-amino-9,10-dioxoundecanoic acid
CID 123227009
(2S)-2-aminooctanedioic acid;2-oxooctanedioic acid
CID 158254947
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2S)-2,7-diamino-7-oxoheptanoic acid
CID 88911267
2-amino-7,8,9-trioxodecanoic acid
CID 59658358
6-amino-2-oxohexanoic acid;(2S)-2,6-diaminohexanoic acid
CID 159223859
2,10,10-triaminodecanoic acid
CID 141091504
2-aminooctanedioic acid;2-aminopropanedioic acid
CID 159597663
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-7-methoxy-7-oxoheptanoic acid
CID 10679200
(2S)-2-aminobutanedioic acid;2-aminooctanedioic acid
CID 161168741

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid?
The IUPAC name of 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid (CID 166001549) is 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid.
What is the SMILES notation for 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid?
The canonical SMILES for 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid is NC(CCCCCC(=O)C(=O)NO)C(=O)O.
What is the InChIKey of 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid?
The InChIKey is ZTNFIKNQNGZNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c10-6(9(14)15)4-2-1-3-5-7(12)8(13)11-16/h6,16H,1-5,10H2,(H,11,13)(H,14,15).
What are the key properties of 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid?
2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.58, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(hydroxyamino)-8,9-dioxononanoic acid is sourced from PubChem (CID 166001549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).