7-aminodecanoic acid

C10H21NO2 — CID 2832749

IUPAC7-aminodecanoic acid
SMILESCCCC(N)CCCCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-2-6-9(11)7-4-3-5-8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyNRKKNXXLTISZHH-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.15
Rot. Bonds8

About 7-aminodecanoic acid

7-aminodecanoic acid (PubChem CID 2832749) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 7-aminodecanoic acid.

Molecular Properties

Compound Name7-aminodecanoic acid
PubChem CID2832749
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name7-aminodecanoic acid
SMILESCCCC(N)CCCCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-2-6-9(11)7-4-3-5-8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13)
InChIKeyNRKKNXXLTISZHH-UHFFFAOYSA-N
XLogP2.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of 7-aminodecanoic acid?
The IUPAC name of 7-aminodecanoic acid (CID 2832749) is 7-aminodecanoic acid.
What is the SMILES notation for 7-aminodecanoic acid?
The canonical SMILES for 7-aminodecanoic acid is CCCC(N)CCCCCC(=O)O.
What is the InChIKey of 7-aminodecanoic acid?
The InChIKey is NRKKNXXLTISZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-6-9(11)7-4-3-5-8-10(12)13/h9H,2-8,11H2,1H3,(H,12,13).
What are the key properties of 7-aminodecanoic acid?
7-aminodecanoic acid has a molecular weight of 187.28 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminodecanoic acid is sourced from PubChem (CID 2832749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).