3-(dipropylamino)propanoate

C9H18NO2- — CID 23175384

IUPAC3-(dipropylamino)propanoate
SMILESCCCN(CCC)CCC(=O)[O-]
InChIInChI=1S/C9H19NO2/c1-3-6-10(7-4-2)8-5-9(11)12/h3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyOMEAIFQIIGBCPE-UHFFFAOYSA-M
MW172.25 g/mol
LogP0.25
Rot. Bonds7

About 3-(dipropylamino)propanoate

3-(dipropylamino)propanoate (PubChem CID 23175384) has the molecular formula C9H18NO2- and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(dipropylamino)propanoate.

Molecular Properties

Compound Name3-(dipropylamino)propanoate
PubChem CID23175384
Molecular FormulaC9H18NO2-
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Name3-(dipropylamino)propanoate
SMILESCCCN(CCC)CCC(=O)[O-]
InChIInChI=1S/C9H19NO2/c1-3-6-10(7-4-2)8-5-9(11)12/h3-8H2,1-2H3,(H,11,12)/p-1
InChIKeyOMEAIFQIIGBCPE-UHFFFAOYSA-M
XLogP0.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-(dipropylamino)propanoate);nickel(2+)
CID 88802202
sodium 3-[2-carboxylatoethyl(tetradecyl)amino]propanoate
CID 91864467
sodium 3-[di(tridecyl)amino]propanoate
CID 101313710
lithium 3-[di(tetracosyl)amino]propanoate
CID 101313807
bis(3-(dioctylamino)propanoate);nickel(2+)
CID 88802557
potassium 3-(didecylamino)propanoate
CID 101313684
potassium 4-(dihexadecylamino)butanoate
CID 101313936
lithium 5-(dioctylamino)pentanoate
CID 101313475
potassium 6-[di(nonadecyl)amino]hexanoate
CID 101314650
calcium bis(6-[di(tricosyl)amino]hexanoate)
CID 101314752
sodium 4-(dioctylamino)butanoate
CID 101313458
calcium bis(7-(dioctylamino)heptanoate)
CID 101313533

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)propanoate?
The IUPAC name of 3-(dipropylamino)propanoate (CID 23175384) is 3-(dipropylamino)propanoate.
What is the SMILES notation for 3-(dipropylamino)propanoate?
The canonical SMILES for 3-(dipropylamino)propanoate is CCCN(CCC)CCC(=O)[O-].
What is the InChIKey of 3-(dipropylamino)propanoate?
The InChIKey is OMEAIFQIIGBCPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H19NO2/c1-3-6-10(7-4-2)8-5-9(11)12/h3-8H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 3-(dipropylamino)propanoate?
3-(dipropylamino)propanoate has a molecular weight of 172.25 g/mol, XLogP of 0.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)propanoate is sourced from PubChem (CID 23175384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).