1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid

C11H21NO3 — CID 114426536

IUPAC1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(C)C(C)O)C(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-7-4-5-12(8(2)9(3)13)10(6-7)11(14)15/h7-10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyPJBQPHVQYHBQNN-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds3

About 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid

1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114426536) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114426536
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(C)C(C)O)C(C(=O)O)C1
InChIInChI=1S/C11H21NO3/c1-7-4-5-12(8(2)9(3)13)10(6-7)11(14)15/h7-10,13H,4-6H2,1-3H3,(H,14,15)
InChIKeyPJBQPHVQYHBQNN-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425523
1-(1-sulfanylethyl)azetidine-2-carboxylic acid
CID 123831270
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
1-(2-ethylbutyl)-4-methylpiperidine-2-carboxylic acid
CID 114426624
1-cyclopropylsulfonyl-4-methylpiperidine-2-carboxylic acid
CID 114422142
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425451
4-methyl-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-2-carboxylic acid
CID 103309287
1-(2-fluoroethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426285
1-(2-amino-2-oxoethyl)-4-methylpiperidine-2-carboxylic acid
CID 114426657
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid (CID 114426536) is 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(C)C(C)O)C(C(=O)O)C1.
What is the InChIKey of 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is PJBQPHVQYHBQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-4-5-12(8(2)9(3)13)10(6-7)11(14)15/h7-10,13H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid?
1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutan-2-yl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114426536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).