3-[2-(nonylamino)ethylamino]propanoic acid

C14H30N2O2 — CID 102117285

IUPAC3-[2-(nonylamino)ethylamino]propanoic acid
SMILESCCCCCCCCCNCCNCCC(=O)O
InChIInChI=1S/C14H30N2O2/c1-2-3-4-5-6-7-8-10-15-12-13-16-11-9-14(17)18/h15-16H,2-13H2,1H3,(H,17,18)
InChIKeyUIXUKEVEQVODOX-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.39
Rot. Bonds14

About 3-[2-(nonylamino)ethylamino]propanoic acid

3-[2-(nonylamino)ethylamino]propanoic acid (PubChem CID 102117285) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[2-(nonylamino)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(nonylamino)ethylamino]propanoic acid
PubChem CID102117285
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-[2-(nonylamino)ethylamino]propanoic acid
SMILESCCCCCCCCCNCCNCCC(=O)O
InChIInChI=1S/C14H30N2O2/c1-2-3-4-5-6-7-8-10-15-12-13-16-11-9-14(17)18/h15-16H,2-13H2,1H3,(H,17,18)
InChIKeyUIXUKEVEQVODOX-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;3-(dodecylamino)propanoic acid
CID 174643455
3-(pentylamino)propanoic acid
CID 28830294
sodium;3-(hexadecylamino)propanoic acid;hydride
CID 175392938
sodium;hydride;3-(octylamino)propanoic acid
CID 175337848
2-(2-hydroxyethylamino)ethanol;3-(tetradecylamino)propanoic acid
CID 6455032
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721

Frequently Asked Questions

What is the IUPAC name of 3-[2-(nonylamino)ethylamino]propanoic acid?
The IUPAC name of 3-[2-(nonylamino)ethylamino]propanoic acid (CID 102117285) is 3-[2-(nonylamino)ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-(nonylamino)ethylamino]propanoic acid?
The canonical SMILES for 3-[2-(nonylamino)ethylamino]propanoic acid is CCCCCCCCCNCCNCCC(=O)O.
What is the InChIKey of 3-[2-(nonylamino)ethylamino]propanoic acid?
The InChIKey is UIXUKEVEQVODOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-2-3-4-5-6-7-8-10-15-12-13-16-11-9-14(17)18/h15-16H,2-13H2,1H3,(H,17,18).
What are the key properties of 3-[2-(nonylamino)ethylamino]propanoic acid?
3-[2-(nonylamino)ethylamino]propanoic acid has a molecular weight of 258.41 g/mol, XLogP of 2.39, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(nonylamino)ethylamino]propanoic acid is sourced from PubChem (CID 102117285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).