3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid

C14H31N3O2 — CID 82330394

IUPAC3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
SMILESCCN(CC)CCN(CCCN(C)C)CCC(=O)O
InChIInChI=1S/C14H31N3O2/c1-5-16(6-2)12-13-17(11-8-14(18)19)10-7-9-15(3)4/h5-13H2,1-4H3,(H,18,19)
InChIKeyUIXKCSPEEUGYKV-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.06
Rot. Bonds12

About 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid

3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid (PubChem CID 82330394) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
PubChem CID82330394
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid
SMILESCCN(CC)CCN(CCCN(C)C)CCC(=O)O
InChIInChI=1S/C14H31N3O2/c1-5-16(6-2)12-13-17(11-8-14(18)19)10-7-9-15(3)4/h5-13H2,1-4H3,(H,18,19)
InChIKeyUIXKCSPEEUGYKV-UHFFFAOYSA-N
XLogP1.06
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl-heptylamino]propanoic acid
CID 82328793
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329754
3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid
CID 82330379
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
3-[3-(diethylamino)propyl-methylsulfonylamino]propanoic acid
CID 82326345
4-[bis(2-carboxyethyl)amino]butanoic acid
CID 82330594
3-(dioctadecylamino)propanoic acid
CID 101313756
1-[3-[bis[3-[bis[6-(dimethylamino)-3-oxohexyl]amino]propyl]amino]propyl-[6-(dimethylamino)-3-oxohexyl]amino]-6-(dimethylamino)hexan-3-one
CID 165064162
3-[di(pentadecyl)amino]propanoic acid
CID 101313726

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid?
The IUPAC name of 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid (CID 82330394) is 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid.
What is the SMILES notation for 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid?
The canonical SMILES for 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid is CCN(CC)CCN(CCCN(C)C)CCC(=O)O.
What is the InChIKey of 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid?
The InChIKey is UIXKCSPEEUGYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-5-16(6-2)12-13-17(11-8-14(18)19)10-7-9-15(3)4/h5-13H2,1-4H3,(H,18,19).
What are the key properties of 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid?
3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid has a molecular weight of 273.42 g/mol, XLogP of 1.06, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl-[3-(dimethylamino)propyl]amino]propanoic acid is sourced from PubChem (CID 82330394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).