8-amino-2-methyl-8-oxooctanoic acid

C9H17NO3 — CID 57306810

IUPAC8-amino-2-methyl-8-oxooctanoic acid
SMILESCC(CCCCCC(N)=O)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(9(12)13)5-3-2-4-6-8(10)11/h7H,2-6H2,1H3,(H2,10,11)(H,12,13)
InChIKeyFGZQLPSIVZEABR-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.14
Rot. Bonds7

About 8-amino-2-methyl-8-oxooctanoic acid

8-amino-2-methyl-8-oxooctanoic acid (PubChem CID 57306810) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 8-amino-2-methyl-8-oxooctanoic acid.

Molecular Properties

Compound Name8-amino-2-methyl-8-oxooctanoic acid
PubChem CID57306810
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name8-amino-2-methyl-8-oxooctanoic acid
SMILESCC(CCCCCC(N)=O)C(=O)O
InChIInChI=1S/C9H17NO3/c1-7(9(12)13)5-3-2-4-6-8(10)11/h7H,2-6H2,1H3,(H2,10,11)(H,12,13)
InChIKeyFGZQLPSIVZEABR-UHFFFAOYSA-N
XLogP1.14
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylhenicosanedioic acid
CID 21286141
2,11-dimethyldodecanoic acid
CID 22251841
2,9-dimethyldecanoic acid
CID 22251838
21-methyldotetracontanediamide
CID 87333254
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
heptane;2-methylheptadecanoic acid
CID 175511035
(2R)-8-bromo-2-methyloctanoic acid
CID 163580387
2-methyloctanoic acid chloride
CID 86745562
2-methyl-7-oxodecanoic acid
CID 121216552
2-methyloctanediamide;terephthalic acid
CID 175020384
6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid
CID 171621768
4-[(4-amino-4-oxobutyl)carbamoylamino]-2-methylbutanoic acid
CID 80540555

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-methyl-8-oxooctanoic acid?
The IUPAC name of 8-amino-2-methyl-8-oxooctanoic acid (CID 57306810) is 8-amino-2-methyl-8-oxooctanoic acid.
What is the SMILES notation for 8-amino-2-methyl-8-oxooctanoic acid?
The canonical SMILES for 8-amino-2-methyl-8-oxooctanoic acid is CC(CCCCCC(N)=O)C(=O)O.
What is the InChIKey of 8-amino-2-methyl-8-oxooctanoic acid?
The InChIKey is FGZQLPSIVZEABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(9(12)13)5-3-2-4-6-8(10)11/h7H,2-6H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 8-amino-2-methyl-8-oxooctanoic acid?
8-amino-2-methyl-8-oxooctanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-methyl-8-oxooctanoic acid is sourced from PubChem (CID 57306810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).