2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid

C13H25NO2 — CID 114593995

IUPAC2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
SMILESCC1CC(C)C(C)N(CC(C)(C)C(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-9-6-10(2)11(3)14(7-9)8-13(4,5)12(15)16/h9-11H,6-8H2,1-5H3,(H,15,16)
InChIKeyUUVSKADAQVTAPN-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.46
Rot. Bonds3

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

2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid (PubChem CID 114593995) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
PubChem CID114593995
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
SMILESCC1CC(C)C(C)N(CC(C)(C)C(=O)O)C1
InChIInChI=1S/C13H25NO2/c1-9-6-10(2)11(3)14(7-9)8-13(4,5)12(15)16/h9-11H,6-8H2,1-5H3,(H,15,16)
InChIKeyUUVSKADAQVTAPN-UHFFFAOYSA-N
XLogP2.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol
CID 114594601
2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114596342
methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 114593805
2-ethyl-2-(methylamino)-5-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 106806513
ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596411
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
N-tert-butyl-2-methyl-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]butan-1-amine
CID 114596807
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142
3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid
CID 130558045
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114593971
1-[(2,3,5-trimethylpiperidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 114596838

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid (CID 114593995) is 2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid is CC1CC(C)C(C)N(CC(C)(C)C(=O)O)C1.
What is the InChIKey of 2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid?
The InChIKey is UUVSKADAQVTAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9-6-10(2)11(3)14(7-9)8-13(4,5)12(15)16/h9-11H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid?
2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 114593995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).