2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid

C14H24N2O3 — CID 61370713

IUPAC2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
SMILESCC1CCN(C(=O)CN2CCCC2CC(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-11-4-7-15(8-5-11)13(17)10-16-6-2-3-12(16)9-14(18)19/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyCWVCVBZGQBDKDI-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.18
Rot. Bonds4

About 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370713) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370713
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
SMILESCC1CCN(C(=O)CN2CCCC2CC(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-11-4-7-15(8-5-11)13(17)10-16-6-2-3-12(16)9-14(18)19/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyCWVCVBZGQBDKDI-UHFFFAOYSA-N
XLogP1.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370538
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 111753132
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119916049
(2S)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910660
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
CID 62655699
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79369960
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370340
1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62273039

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid (CID 61370713) is 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid is CC1CCN(C(=O)CN2CCCC2CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is CWVCVBZGQBDKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-4-7-15(8-5-11)13(17)10-16-6-2-3-12(16)9-14(18)19/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 268.36 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-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).