1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid

C11H17NO2 — CID 104598631

IUPAC1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
SMILESCC#CCN1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H17NO2/c1-3-4-8-12-9-6-5-7-11(12,2)10(13)14/h5-9H2,1-2H3,(H,13,14)
InChIKeyIMNOJYMCOSVYJU-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.34
Rot. Bonds2

About 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid

1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid (PubChem CID 104598631) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
PubChem CID104598631
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
SMILESCC#CCN1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H17NO2/c1-3-4-8-12-9-6-5-7-11(12,2)10(13)14/h5-9H2,1-2H3,(H,13,14)
InChIKeyIMNOJYMCOSVYJU-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598472
2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 113431104
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598589
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 113431112
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598886
2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
CID 115514664
(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid
CID 167294981
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598869
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598906
2-methyl-1-(pent-3-ynylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 116644863
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]piperidine-2-carboxylic acid
CID 113431091

Frequently Asked Questions

What is the IUPAC name of 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid (CID 104598631) is 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid is CC#CCN1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid?
The InChIKey is IMNOJYMCOSVYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-8-12-9-6-5-7-11(12,2)10(13)14/h5-9H2,1-2H3,(H,13,14).
What are the key properties of 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid?
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104598631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).