8-amino-2-oxooctanoic acid

C8H15NO3 — CID 87379118

IUPAC8-amino-2-oxooctanoic acid
SMILESNCCCCCCC(=O)C(=O)O
InChIInChI=1S/C8H15NO3/c9-6-4-2-1-3-5-7(10)8(11)12/h1-6,9H2,(H,11,12)
InChIKeySUYRJGXWFYPEOO-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.55
Rot. Bonds7

About 8-amino-2-oxooctanoic acid

8-amino-2-oxooctanoic acid (PubChem CID 87379118) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 8-amino-2-oxooctanoic acid.

Molecular Properties

Compound Name8-amino-2-oxooctanoic acid
PubChem CID87379118
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name8-amino-2-oxooctanoic acid
SMILESNCCCCCCC(=O)C(=O)O
InChIInChI=1S/C8H15NO3/c9-6-4-2-1-3-5-7(10)8(11)12/h1-6,9H2,(H,11,12)
InChIKeySUYRJGXWFYPEOO-UHFFFAOYSA-N
XLogP0.55
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-oxohexanoic acid;(2S)-2,6-diaminohexanoic acid
CID 159223859
2-oxononadecanedioic acid
CID 19882771
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
2-oxotridecanedioic acid
CID 57104850
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
16-aminohexadecanamide
CID 86033165
12-aminododecanoic acid;carbamic acid
CID 157488032
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
2-oxotricosanoic acid
CID 5312932

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-oxooctanoic acid?
The IUPAC name of 8-amino-2-oxooctanoic acid (CID 87379118) is 8-amino-2-oxooctanoic acid.
What is the SMILES notation for 8-amino-2-oxooctanoic acid?
The canonical SMILES for 8-amino-2-oxooctanoic acid is NCCCCCCC(=O)C(=O)O.
What is the InChIKey of 8-amino-2-oxooctanoic acid?
The InChIKey is SUYRJGXWFYPEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c9-6-4-2-1-3-5-7(10)8(11)12/h1-6,9H2,(H,11,12).
What are the key properties of 8-amino-2-oxooctanoic acid?
8-amino-2-oxooctanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-oxooctanoic acid is sourced from PubChem (CID 87379118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).