3-[dodecyl(ethyl)amino]propanoic acid

C17H35NO2 — CID 62065544

IUPAC3-[dodecyl(ethyl)amino]propanoic acid
SMILESCCCCCCCCCCCCN(CC)CCC(=O)O
InChIInChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-15-18(4-2)16-14-17(19)20/h3-16H2,1-2H3,(H,19,20)
InChIKeySDUMFSURPVCUMM-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.70
Rot. Bonds15

About 3-[dodecyl(ethyl)amino]propanoic acid

3-[dodecyl(ethyl)amino]propanoic acid (PubChem CID 62065544) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 3-[dodecyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[dodecyl(ethyl)amino]propanoic acid
PubChem CID62065544
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name3-[dodecyl(ethyl)amino]propanoic acid
SMILESCCCCCCCCCCCCN(CC)CCC(=O)O
InChIInChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-15-18(4-2)16-14-17(19)20/h3-16H2,1-2H3,(H,19,20)
InChIKeySDUMFSURPVCUMM-UHFFFAOYSA-N
XLogP4.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[2-[2-carboxyethyl-[(Z)-octadec-9-enyl]amino]ethyl-ethylamino]propanoic acid
CID 171721083
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
4-[butyl(ethyl)amino]butanoic acid
CID 20991778
4-(didodecylamino)butanoic acid
CID 101313875
3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
CID 82328793
3-[(2-amino-2-oxoethyl)-hexylamino]propanoic acid
CID 82326746

Frequently Asked Questions

What is the IUPAC name of 3-[dodecyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-[dodecyl(ethyl)amino]propanoic acid (CID 62065544) is 3-[dodecyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-[dodecyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-[dodecyl(ethyl)amino]propanoic acid is CCCCCCCCCCCCN(CC)CCC(=O)O.
What is the InChIKey of 3-[dodecyl(ethyl)amino]propanoic acid?
The InChIKey is SDUMFSURPVCUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-15-18(4-2)16-14-17(19)20/h3-16H2,1-2H3,(H,19,20).
What are the key properties of 3-[dodecyl(ethyl)amino]propanoic acid?
3-[dodecyl(ethyl)amino]propanoic acid has a molecular weight of 285.47 g/mol, XLogP of 4.70, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dodecyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 62065544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).