2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid

C10H18N2O3 — CID 106745088

IUPAC2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCNC(=O)CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C10H18N2O3/c1-7-5-8(10(14)15)3-4-12(7)6-9(13)11-2/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQMIVWHUOIWNUTR-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.08
Rot. Bonds3

About 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid

2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 106745088) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID106745088
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCNC(=O)CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C10H18N2O3/c1-7-5-8(10(14)15)3-4-12(7)6-9(13)11-2/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyQMIVWHUOIWNUTR-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(methylamino)-4-oxobutyl]piperidine-4-carboxylic acid
CID 106745125
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106744699
2-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxylic acid
CID 106744778
2-methyl-1-(2-methylpropyl)piperidine-4-carboxylic acid
CID 106745002
2-methyl-1-(4-methylpentyl)piperidine-4-carboxylic acid
CID 106745070
2-methyl-1-octylpiperidine-4-carboxylic acid
CID 106744771
1-heptyl-2-methylpiperidine-4-carboxylic acid
CID 106744769
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745003
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
2-methyl-1-(4-methylsulfanylbutyl)piperidine-4-carboxylic acid
CID 106745352
1-(2-ethoxyethyl)-2-methylpiperidine-4-carboxylic acid
CID 106744774

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid (CID 106745088) is 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid is CNC(=O)CN1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is QMIVWHUOIWNUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-5-8(10(14)15)3-4-12(7)6-9(13)11-2/h7-8H,3-6H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106745088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).