12-amino-7-oxododecanoic acid

C12H23NO3 — CID 4206597

IUPAC12-amino-7-oxododecanoic acid
SMILESNCCCCCC(=O)CCCCCC(=O)O
InChIInChI=1S/C12H23NO3/c13-10-6-2-4-8-11(14)7-3-1-5-9-12(15)16/h1-10,13H2,(H,15,16)
InChIKeyZYUIIFJKSLWWHG-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.11
Rot. Bonds11

About 12-amino-7-oxododecanoic acid

12-amino-7-oxododecanoic acid (PubChem CID 4206597) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 12-amino-7-oxododecanoic acid.

Molecular Properties

Compound Name12-amino-7-oxododecanoic acid
PubChem CID4206597
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name12-amino-7-oxododecanoic acid
SMILESNCCCCCC(=O)CCCCCC(=O)O
InChIInChI=1S/C12H23NO3/c13-10-6-2-4-8-11(14)7-3-1-5-9-12(15)16/h1-10,13H2,(H,15,16)
InChIKeyZYUIIFJKSLWWHG-UHFFFAOYSA-N
XLogP2.11
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
11-aminoundecanoic acid;ethane
CID 144914161
acetylene;6-aminohexanoic acid
CID 143110448
12-aminododecanoic acid;carbamic acid
CID 157488032
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
alumane;6-aminohexanoic acid;zirconium;hydrochloride
CID 173334193
pentan-1-amine;tetradecanoic acid
CID 174809000

Frequently Asked Questions

What is the IUPAC name of 12-amino-7-oxododecanoic acid?
The IUPAC name of 12-amino-7-oxododecanoic acid (CID 4206597) is 12-amino-7-oxododecanoic acid.
What is the SMILES notation for 12-amino-7-oxododecanoic acid?
The canonical SMILES for 12-amino-7-oxododecanoic acid is NCCCCCC(=O)CCCCCC(=O)O.
What is the InChIKey of 12-amino-7-oxododecanoic acid?
The InChIKey is ZYUIIFJKSLWWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c13-10-6-2-4-8-11(14)7-3-1-5-9-12(15)16/h1-10,13H2,(H,15,16).
What are the key properties of 12-amino-7-oxododecanoic acid?
12-amino-7-oxododecanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.11, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-amino-7-oxododecanoic acid is sourced from PubChem (CID 4206597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).