3-[3-(diethylamino)piperidin-1-yl]propanoic acid

C12H24N2O2 — CID 83840059

IUPAC3-[3-(diethylamino)piperidin-1-yl]propanoic acid
SMILESCCN(CC)C1CCCN(CCC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-14(4-2)11-6-5-8-13(10-11)9-7-12(15)16/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyXUZISFFXJDZFTC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.27
Rot. Bonds6

About 3-[3-(diethylamino)piperidin-1-yl]propanoic acid

3-[3-(diethylamino)piperidin-1-yl]propanoic acid (PubChem CID 83840059) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[3-(diethylamino)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(diethylamino)piperidin-1-yl]propanoic acid
PubChem CID83840059
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[3-(diethylamino)piperidin-1-yl]propanoic acid
SMILESCCN(CC)C1CCCN(CCC(=O)O)C1
InChIInChI=1S/C12H24N2O2/c1-3-14(4-2)11-6-5-8-13(10-11)9-7-12(15)16/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyXUZISFFXJDZFTC-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(diethylamino)piperidin-1-yl]methanol
CID 89090759
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
2-[3-(diethylamino)pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67009777
1-(2-aminoethyl)-N,N-diethylazepan-3-amine
CID 14210025
3-[3-(diethylamino)pyrrolidin-1-yl]propanethioamide
CID 63169620
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
CID 84755522
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoic acid
CID 95599765
3-[3-(fluoromethyl)piperidin-1-yl]propanoic acid
CID 121200949
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
N-(3-aminopropyl)-3-[3-(diethylamino)pyrrolidin-1-yl]-N-methylpropanamide
CID 63172162

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(diethylamino)piperidin-1-yl]propanoic acid (CID 83840059) is 3-[3-(diethylamino)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(diethylamino)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(diethylamino)piperidin-1-yl]propanoic acid is CCN(CC)C1CCCN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-(diethylamino)piperidin-1-yl]propanoic acid?
The InChIKey is XUZISFFXJDZFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14(4-2)11-6-5-8-13(10-11)9-7-12(15)16/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 3-[3-(diethylamino)piperidin-1-yl]propanoic acid?
3-[3-(diethylamino)piperidin-1-yl]propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 83840059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).