2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid

C12H23NO3 — CID 24737760

IUPAC2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid
SMILESCC(CCO)C(C)C1CCCCN1C(=O)O
InChIInChI=1S/C12H23NO3/c1-9(6-8-14)10(2)11-5-3-4-7-13(11)12(15)16/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyVXWBFGCZWFQOSE-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.17
Rot. Bonds4

About 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid

2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid (PubChem CID 24737760) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid
PubChem CID24737760
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid
SMILESCC(CCO)C(C)C1CCCCN1C(=O)O
InChIInChI=1S/C12H23NO3/c1-9(6-8-14)10(2)11-5-3-4-7-13(11)12(15)16/h9-11,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyVXWBFGCZWFQOSE-UHFFFAOYSA-N
XLogP2.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid?
The IUPAC name of 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid (CID 24737760) is 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid is CC(CCO)C(C)C1CCCCN1C(=O)O.
What is the InChIKey of 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid?
The InChIKey is VXWBFGCZWFQOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(6-8-14)10(2)11-5-3-4-7-13(11)12(15)16/h9-11,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid?
2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-3-methylpentan-2-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 24737760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).