1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid

C9H15NO3 — CID 89178801

IUPAC1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid
SMILESC=C1CC(C(=O)O)CC(C)(C)N1O
InChIInChI=1S/C9H15NO3/c1-6-4-7(8(11)12)5-9(2,3)10(6)13/h7,13H,1,4-5H2,2-3H3,(H,11,12)
InChIKeyKXOXGTVKWRAYHN-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.46
Rot. Bonds1

About 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid

1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid (PubChem CID 89178801) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid
PubChem CID89178801
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid
SMILESC=C1CC(C(=O)O)CC(C)(C)N1O
InChIInChI=1S/C9H15NO3/c1-6-4-7(8(11)12)5-9(2,3)10(6)13/h7,13H,1,4-5H2,2-3H3,(H,11,12)
InChIKeyKXOXGTVKWRAYHN-UHFFFAOYSA-N
XLogP1.46
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
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5,5-dimethyl-1-pentylpyrrolidine-3-carboxylic acid
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2,2,6,6-tetraethyl-1-hydroxypiperidine-4-carboxylic acid
CID 176571405
sodium 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 157333041
1-(4-chlorophenyl)-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020355
CID 140706073
CID 140706073
1,3-dimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
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CID 117018414

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid?
The IUPAC name of 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid (CID 89178801) is 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid.
What is the SMILES notation for 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid?
The canonical SMILES for 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid is C=C1CC(C(=O)O)CC(C)(C)N1O.
What is the InChIKey of 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid?
The InChIKey is KXOXGTVKWRAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-4-7(8(11)12)5-9(2,3)10(6)13/h7,13H,1,4-5H2,2-3H3,(H,11,12).
What are the key properties of 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid?
1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid is sourced from PubChem (CID 89178801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).