2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid

C13H25NO2 — CID 114593963

IUPAC2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(C)CC(C)C1C
InChIInChI=1S/C13H25NO2/c1-5-6-12(13(15)16)14-8-9(2)7-10(3)11(14)4/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyXGRVKBFEUNMKEE-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.61
Rot. Bonds4

About 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid

2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid (PubChem CID 114593963) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
PubChem CID114593963
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CC(C)CC(C)C1C
InChIInChI=1S/C13H25NO2/c1-5-6-12(13(15)16)14-8-9(2)7-10(3)11(14)4/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyXGRVKBFEUNMKEE-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,3,5-trimethylpiperidin-1-yl)pentanoate
CID 114593949
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
2-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114593984
2-(2,5-dimethylpiperazin-1-yl)pentanoic acid
CID 83048854
2-(3-methylmorpholin-4-yl)pentanoic acid
CID 83041172
2-(4-hydroxy-2-methoxycarbonylpyrrolidin-1-yl)pentanoic acid
CID 112632682
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 114596369
1-(4-methylphenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114594148
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
CID 83042038
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114594131
(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpentan-1-one
CID 26832725
2-(3-propylazetidin-1-yl)pentanoic acid
CID 79695238

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
The IUPAC name of 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid (CID 114593963) is 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid is CCCC(C(=O)O)N1CC(C)CC(C)C1C.
What is the InChIKey of 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
The InChIKey is XGRVKBFEUNMKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-6-12(13(15)16)14-8-9(2)7-10(3)11(14)4/h9-12H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid?
2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 114593963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).