1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C12H20N2O4 — CID 62303080

IUPAC1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(C(C)(C)C(N)=O)C(C)C1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-6-5-8(15)14(12(3,4)11(13)18)7(2)9(6)10(16)17/h6-7,9H,5H2,1-4H3,(H2,13,18)(H,16,17)
InChIKeySKHICXUQIGZWQO-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.21
Rot. Bonds3

About 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 62303080) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID62303080
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(C(C)(C)C(N)=O)C(C)C1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-6-5-8(15)14(12(3,4)11(13)18)7(2)9(6)10(16)17/h6-7,9H,5H2,1-4H3,(H2,13,18)(H,16,17)
InChIKeySKHICXUQIGZWQO-UHFFFAOYSA-N
XLogP0.21
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-oxo-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylic acid
CID 55057513
2,4-dimethyl-6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 55057746
1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107811853
2,4-dimethyl-1-(4-methylpentan-2-yl)-6-oxopiperidine-3-carboxylic acid
CID 62303047
2,4-dimethyl-6-oxo-1-(4-propylcyclohexyl)piperidine-3-carboxylic acid
CID 62303078
2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid
CID 62302875
2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 62302716
1-(2-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302568
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylethyl)piperidine-3-carboxylic acid
CID 62303069
1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107464738
1-(3-ethyl-2-methylcyclopentyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 64916058
1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302419

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 62303080) is 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is CC1CC(=O)N(C(C)(C)C(N)=O)C(C)C1C(=O)O.
What is the InChIKey of 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is SKHICXUQIGZWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-6-5-8(15)14(12(3,4)11(13)18)7(2)9(6)10(16)17/h6-7,9H,5H2,1-4H3,(H2,13,18)(H,16,17).
What are the key properties of 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62303080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).