3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid

C16H32N2O2 — CID 83994909

IUPAC3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
SMILESCCCN1CC(CCC(=O)O)CC(NCC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-8-18-10-13(6-7-15(19)20)9-14(11-18)17-12-16(2,3)4/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyABXXFWQGTICJQU-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.59
Rot. Bonds7

About 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid

3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid (PubChem CID 83994909) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
PubChem CID83994909
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid
SMILESCCCN1CC(CCC(=O)O)CC(NCC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-8-18-10-13(6-7-15(19)20)9-14(11-18)17-12-16(2,3)4/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyABXXFWQGTICJQU-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2,2-dimethylpropylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propanoic acid
CID 83995471
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
CID 83995064
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
3-[5-(cyclohexylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83999059
3-[1-butyl-5-(propylamino)piperidin-3-yl]propanoic acid
CID 83990902
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
3-[3-(methylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83990005
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
methyl 2-[1-butyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]acetate
CID 83994946
3-[5-(ethylamino)-1-methylpiperidin-3-yl]propanoic acid
CID 83990161
3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid (CID 83994909) is 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid is CCCN1CC(CCC(=O)O)CC(NCC(C)(C)C)C1.
What is the InChIKey of 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid?
The InChIKey is ABXXFWQGTICJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-8-18-10-13(6-7-15(19)20)9-14(11-18)17-12-16(2,3)4/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid?
3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]propanoic acid is sourced from PubChem (CID 83994909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).