2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid

C10H17NO3 — CID 80996172

IUPAC2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCCC(O)C1
InChIInChI=1S/C10H17NO3/c12-7-2-1-5-11(6-7)9-4-3-8(9)10(13)14/h7-9,12H,1-6H2,(H,13,14)
InChIKeyRTUNAHLLKNCVMM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.31
Rot. Bonds2

About 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid

2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 80996172) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID80996172
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCCC(O)C1
InChIInChI=1S/C10H17NO3/c12-7-2-1-5-11(6-7)9-4-3-8(9)10(13)14/h7-9,12H,1-6H2,(H,13,14)
InChIKeyRTUNAHLLKNCVMM-UHFFFAOYSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 83821308
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997151
2-(4-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80997459
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclobutane-1-carboxylic acid
CID 80996706
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
2-(3-aminopyrrolidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996284
2-(3-propoxypiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 80996695
4-[(3S)-3-hydroxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 129462245
2-(4-ethylazepan-1-yl)cyclobutane-1-carboxylic acid
CID 80995975
1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylic acid
CID 82653045

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid (CID 80996172) is 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1N1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is RTUNAHLLKNCVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-7-2-1-5-11(6-7)9-4-3-8(9)10(13)14/h7-9,12H,1-6H2,(H,13,14).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid?
2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80996172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).