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

C11H20N2O3 — CID 106744633

IUPAC2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCNC(=O)C(C)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H20N2O3/c1-7-6-9(11(15)16)4-5-13(7)8(2)10(14)12-3/h7-9H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyNWMMECHFZDAZOZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds3

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

2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (PubChem CID 106744633) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
PubChem CID106744633
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCNC(=O)C(C)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H20N2O3/c1-7-6-9(11(15)16)4-5-13(7)8(2)10(14)12-3/h7-9H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyNWMMECHFZDAZOZ-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-methylpiperidine-4-carboxylic acid
CID 106745113
2-(2,4-dimethylpiperidin-1-yl)propanehydrazide
CID 63572213
2-(4-amino-2-methylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 115313018
N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761351
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
1-[1-(2,6-dihydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 107711644
1-[1-(4-hydroxyphenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745542
1-[1-(4-iodophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 114083273
N-methyl-2-(2-methyl-1,4-diazepan-1-yl)propanamide
CID 127006822
1-[1-(4-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745286
2-methyl-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745088
1-[1-(furan-3-yl)ethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745373

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (CID 106744633) is 2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is CNC(=O)C(C)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is NWMMECHFZDAZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-6-9(11(15)16)4-5-13(7)8(2)10(14)12-3/h7-9H,4-6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).