azane;3-(dodecylamino)propanoic acid

C15H34N2O2 — CID 174643455

IUPACazane;3-(dodecylamino)propanoic acid
SMILESCCCCCCCCCCCCNCCC(=O)O.N
InChIInChI=1S/C15H31NO2.H3N/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);1H3
InChIKeyMUEHTWLXDDVCMX-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.13
Rot. Bonds14

About azane;3-(dodecylamino)propanoic acid

azane;3-(dodecylamino)propanoic acid (PubChem CID 174643455) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is azane;3-(dodecylamino)propanoic acid.

Molecular Properties

Compound Nameazane;3-(dodecylamino)propanoic acid
PubChem CID174643455
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Nameazane;3-(dodecylamino)propanoic acid
SMILESCCCCCCCCCCCCNCCC(=O)O.N
InChIInChI=1S/C15H31NO2.H3N/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);1H3
InChIKeyMUEHTWLXDDVCMX-UHFFFAOYSA-N
XLogP4.13
TPSA84.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.13
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

3-[2-(nonylamino)ethylamino]propanoic acid
CID 102117285
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 azane;3-(dodecylamino)propanoic acid?
The IUPAC name of azane;3-(dodecylamino)propanoic acid (CID 174643455) is azane;3-(dodecylamino)propanoic acid.
What is the SMILES notation for azane;3-(dodecylamino)propanoic acid?
The canonical SMILES for azane;3-(dodecylamino)propanoic acid is CCCCCCCCCCCCNCCC(=O)O.N.
What is the InChIKey of azane;3-(dodecylamino)propanoic acid?
The InChIKey is MUEHTWLXDDVCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2.H3N/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;/h16H,2-14H2,1H3,(H,17,18);1H3.
What are the key properties of azane;3-(dodecylamino)propanoic acid?
azane;3-(dodecylamino)propanoic acid has a molecular weight of 274.45 g/mol, XLogP of 4.13, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-(dodecylamino)propanoic acid is sourced from PubChem (CID 174643455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).