3-aminononanoic acid

C9H19NO2 — CID 2832746

IUPAC3-aminononanoic acid
SMILESCCCCCCC(N)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-2-3-4-5-6-8(10)7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyJSJXIPXCQNHXJA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.76
Rot. Bonds7

About 3-aminononanoic acid

3-aminononanoic acid (PubChem CID 2832746) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-aminononanoic acid.

Molecular Properties

Compound Name3-aminononanoic acid
PubChem CID2832746
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-aminononanoic acid
SMILESCCCCCCC(N)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-2-3-4-5-6-8(10)7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyJSJXIPXCQNHXJA-UHFFFAOYSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.76
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

sodium;3-aminohenicosanoic acid;hydride
CID 175144455
3-aminoundecanamide
CID 154005326
acetic acid;heptatriacontan-19-amine
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9-aminopentadecanoic acid
CID 87304604
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
3,7-diaminoheptanoic acid
CID 4695301
3-tetradecyloctadecanoic acid
CID 18954670
3-aminodocosanedioic acid
CID 57269564
3-amino-12-hydroxydodecanoic acid
CID 146253643
3-heptylpentanedioic acid
CID 14574131
(3R)-3-amino-4-(didecylamino)butanoic acid
CID 151062145

Frequently Asked Questions

What is the IUPAC name of 3-aminononanoic acid?
The IUPAC name of 3-aminononanoic acid (CID 2832746) is 3-aminononanoic acid.
What is the SMILES notation for 3-aminononanoic acid?
The canonical SMILES for 3-aminononanoic acid is CCCCCCC(N)CC(=O)O.
What is the InChIKey of 3-aminononanoic acid?
The InChIKey is JSJXIPXCQNHXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-3-4-5-6-8(10)7-9(11)12/h8H,2-7,10H2,1H3,(H,11,12).
What are the key properties of 3-aminononanoic acid?
3-aminononanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminononanoic acid is sourced from PubChem (CID 2832746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).