4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid

C9H17NO3 — CID 83483363

IUPAC4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)N1CCC(O)C(C(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-6(2)10-4-3-8(11)7(5-10)9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyWWNKJGKZCUPKTK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.16
Rot. Bonds2

About 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid

4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid (PubChem CID 83483363) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
PubChem CID83483363
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)N1CCC(O)C(C(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-6(2)10-4-3-8(11)7(5-10)9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13)
InChIKeyWWNKJGKZCUPKTK-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid (CID 83483363) is 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid is CC(C)N1CCC(O)C(C(=O)O)C1.
What is the InChIKey of 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid?
The InChIKey is WWNKJGKZCUPKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)10-4-3-8(11)7(5-10)9(12)13/h6-8,11H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid?
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83483363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).