9-(2-aminoacetyl)oxy-9-oxononanoic acid

C11H19NO5 — CID 174767814

IUPAC9-(2-aminoacetyl)oxy-9-oxononanoic acid
SMILESNCC(=O)OC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C11H19NO5/c12-8-11(16)17-10(15)7-5-3-1-2-4-6-9(13)14/h1-8,12H2,(H,13,14)
InChIKeyBJVUNPKUVMSUCO-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.83
Rot. Bonds9

About 9-(2-aminoacetyl)oxy-9-oxononanoic acid

9-(2-aminoacetyl)oxy-9-oxononanoic acid (PubChem CID 174767814) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 9-(2-aminoacetyl)oxy-9-oxononanoic acid.

Molecular Properties

Compound Name9-(2-aminoacetyl)oxy-9-oxononanoic acid
PubChem CID174767814
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name9-(2-aminoacetyl)oxy-9-oxononanoic acid
SMILESNCC(=O)OC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C11H19NO5/c12-8-11(16)17-10(15)7-5-3-1-2-4-6-9(13)14/h1-8,12H2,(H,13,14)
InChIKeyBJVUNPKUVMSUCO-UHFFFAOYSA-N
XLogP0.83
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-[8-(7-carboxyheptanoyloxy)-8-oxooctanoyl]oxy-8-oxooctanoic acid
CID 87223442
30-[28-(29-carboxynonacosanoyloxy)-28-oxooctacosanoyl]oxy-30-oxotriacontanoic acid
CID 57255459
6-[8-(5-carboxypentanoyloxy)-8-oxooctanoyl]oxy-6-oxohexanoic acid
CID 87893152
8-(5-carboxypentanoyloxy)-8-oxooctanoic acid
CID 175284815
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156
10-(9-carboxynonanoyloxy)-10-oxodecanoic acid;ethane-1,2-diol
CID 175232366
bis(4-[8-(3-carboxypropanoyloxy)-8-oxooctanoyl]oxy-4-oxobutanoic acid);pentanedioic acid
CID 174936379
9-[2-(8-carboxyoctanoyloxy)-2-oxoacetyl]oxy-9-oxononanoic acid
CID 175494360
9-decanoyloxy-9-oxononanoic acid
CID 170637743
8-dodecanoyloxy-8-oxooctanoic acid
CID 175147193
CID 175984462
CID 175984462
9-(8-carboxyoctanoyloxymethoxy)-9-oxononanoic acid
CID 87582050

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminoacetyl)oxy-9-oxononanoic acid?
The IUPAC name of 9-(2-aminoacetyl)oxy-9-oxononanoic acid (CID 174767814) is 9-(2-aminoacetyl)oxy-9-oxononanoic acid.
What is the SMILES notation for 9-(2-aminoacetyl)oxy-9-oxononanoic acid?
The canonical SMILES for 9-(2-aminoacetyl)oxy-9-oxononanoic acid is NCC(=O)OC(=O)CCCCCCCC(=O)O.
What is the InChIKey of 9-(2-aminoacetyl)oxy-9-oxononanoic acid?
The InChIKey is BJVUNPKUVMSUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c12-8-11(16)17-10(15)7-5-3-1-2-4-6-9(13)14/h1-8,12H2,(H,13,14).
What are the key properties of 9-(2-aminoacetyl)oxy-9-oxononanoic acid?
9-(2-aminoacetyl)oxy-9-oxononanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoacetyl)oxy-9-oxononanoic acid is sourced from PubChem (CID 174767814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).