3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid

C14H30N2O2 — CID 82328793

IUPAC3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
SMILESCCCCCCCN(CCC(=O)O)CCN(C)C
InChIInChI=1S/C14H30N2O2/c1-4-5-6-7-8-10-16(11-9-14(17)18)13-12-15(2)3/h4-13H2,1-3H3,(H,17,18)
InChIKeyLYZMLXYZXVWLFX-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.30
Rot. Bonds12

About 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid

3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid (PubChem CID 82328793) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
PubChem CID82328793
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
SMILESCCCCCCCN(CCC(=O)O)CCN(C)C
InChIInChI=1S/C14H30N2O2/c1-4-5-6-7-8-10-16(11-9-14(17)18)13-12-15(2)3/h4-13H2,1-3H3,(H,17,18)
InChIKeyLYZMLXYZXVWLFX-UHFFFAOYSA-N
XLogP2.30
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[di(pentadecyl)amino]propanoic acid
CID 101313726
3-(dioctadecylamino)propanoic acid
CID 101313756
3-[pentyl(propyl)amino]propanoic acid
CID 82328254
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
4-(didodecylamino)butanoic acid
CID 101313875
bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
CID 175605017
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330394

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid (CID 82328793) is 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid is CCCCCCCN(CCC(=O)O)CCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid?
The InChIKey is LYZMLXYZXVWLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-5-6-7-8-10-16(11-9-14(17)18)13-12-15(2)3/h4-13H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid?
3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid has a molecular weight of 258.41 g/mol, XLogP of 2.30, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid is sourced from PubChem (CID 82328793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).