3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid

C14H26N2O3 — CID 55164154

IUPAC3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
SMILESCC(C)CNC(=O)C(C)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)8-15-12(17)11(3)16-7-5-6-14(4,9-16)13(18)19/h10-11H,5-9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyMLTHCTOQVVXRFW-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.33
Rot. Bonds5

About 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid

3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid (PubChem CID 55164154) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
PubChem CID55164154
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
SMILESCC(C)CNC(=O)C(C)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)8-15-12(17)11(3)16-7-5-6-14(4,9-16)13(18)19/h10-11H,5-9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyMLTHCTOQVVXRFW-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-3-carboxylic acid
CID 63136330
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-3-methylpiperidine-3-carboxylic acid
CID 63136783
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
3-methyl-1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63147805
3-methyl-1-(2-methylpentan-3-yl)piperidine-3-carboxylic acid
CID 65068571
1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid
CID 63136599
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide
CID 43252717
3-methyl-1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 63148161
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 115874021
3-methyl-1-(2-methylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 55165506
3-methyl-1-propan-2-ylsulfinylpiperidine-3-carboxylic acid
CID 131182189

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid (CID 55164154) is 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid is CC(C)CNC(=O)C(C)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid?
The InChIKey is MLTHCTOQVVXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)8-15-12(17)11(3)16-7-5-6-14(4,9-16)13(18)19/h10-11H,5-9H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid?
3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(2-methylpropylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 55164154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).