2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid

C13H24N2O3 — CID 113431104

IUPAC2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC(C)N(C)C(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(2)14(4)11(16)9-15-8-6-5-7-13(15,3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyWUHNLSLVJNKZSN-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.18
Rot. Bonds4

About 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid

2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 113431104) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID113431104
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
SMILESCC(C)N(C)C(=O)CN1CCCCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-10(2)14(4)11(16)9-15-8-6-5-7-13(15,3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyWUHNLSLVJNKZSN-UHFFFAOYSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598906
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 113431112
1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598472
1-[2-(2-acetamidoethylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598589
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid
CID 167294981
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598886
1-[2-(ethylcarbamoylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598869
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 104598446

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid (CID 113431104) is 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is CC(C)N(C)C(=O)CN1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is WUHNLSLVJNKZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)14(4)11(16)9-15-8-6-5-7-13(15,3)12(17)18/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid?
2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 113431104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).