4-hydroxy-4-methylpiperidine-1-carboxylic acid

C7H13NO3 — CID 22507740

IUPAC4-hydroxy-4-methylpiperidine-1-carboxylic acid
SMILESCC1(O)CCN(C(=O)O)CC1
InChIInChI=1S/C7H13NO3/c1-7(11)2-4-8(5-3-7)6(9)10/h11H,2-5H2,1H3,(H,9,10)
InChIKeyVCEGDBURKQJDAX-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.51
Rot. Bonds

About 4-hydroxy-4-methylpiperidine-1-carboxylic acid

4-hydroxy-4-methylpiperidine-1-carboxylic acid (PubChem CID 22507740) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-hydroxy-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-methylpiperidine-1-carboxylic acid
PubChem CID22507740
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name4-hydroxy-4-methylpiperidine-1-carboxylic acid
SMILESCC1(O)CCN(C(=O)O)CC1
InChIInChI=1S/C7H13NO3/c1-7(11)2-4-8(5-3-7)6(9)10/h11H,2-5H2,1H3,(H,9,10)
InChIKeyVCEGDBURKQJDAX-UHFFFAOYSA-N
XLogP0.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-methylpiperidine-1-carboxylic acid (CID 22507740) is 4-hydroxy-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-methylpiperidine-1-carboxylic acid is CC1(O)CCN(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-4-methylpiperidine-1-carboxylic acid?
The InChIKey is VCEGDBURKQJDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(11)2-4-8(5-3-7)6(9)10/h11H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-hydroxy-4-methylpiperidine-1-carboxylic acid?
4-hydroxy-4-methylpiperidine-1-carboxylic acid has a molecular weight of 159.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22507740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).