2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C14H24N2O3 — CID 79369960

IUPAC2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCN(C(=O)CN2CCC(C(=O)O)C2C)CC1
InChIInChI=1S/C14H24N2O3/c1-10-3-6-15(7-4-10)13(17)9-16-8-5-12(11(16)2)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyJXLZHHVXKKNEES-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds3

About 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 79369960) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID79369960
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCN(C(=O)CN2CCC(C(=O)O)C2C)CC1
InChIInChI=1S/C14H24N2O3/c1-10-3-6-15(7-4-10)13(17)9-16-8-5-12(11(16)2)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyJXLZHHVXKKNEES-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910660
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
1-(cyanomethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370177
2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370713
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
CID 62655699
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369030
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 103353089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 79369960) is 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC1CCN(C(=O)CN2CCC(C(=O)O)C2C)CC1.
What is the InChIKey of 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JXLZHHVXKKNEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-3-6-15(7-4-10)13(17)9-16-8-5-12(11(16)2)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79369960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).