5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

C13H24N2O4 — CID 83845045

IUPAC5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCN(C)C1CC(C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-7-9(11(16)17)6-10(8-15)14(4)5/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyZZCLZCOAJYRNTN-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.26
Rot. Bonds2

About 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (PubChem CID 83845045) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
PubChem CID83845045
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SMILESCN(C)C1CC(C(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-7-9(11(16)17)6-10(8-15)14(4)5/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyZZCLZCOAJYRNTN-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]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

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid (CID 83845045) is 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is CN(C)C1CC(C(=O)O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
The InChIKey is ZZCLZCOAJYRNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(18)15-7-9(11(16)17)6-10(8-15)14(4)5/h9-10H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid?
5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 83845045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).