2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate

C12H22N2O4 — CID 70287152

IUPAC2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate
SMILESCOC(=O)[C@@]1(C(=O)OC(C)(C)C)C[C@@H](N)CCN1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)12(9(15)17-4)7-8(13)5-6-14-12/h8,14H,5-7,13H2,1-4H3/t8-,12+/m0/s1
InChIKeyZXUZVHBUTAGXCM-QPUJVOFHSA-N
MW258.32 g/mol
LogP-0.05
Rot. Bonds2

About 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate

2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate (PubChem CID 70287152) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate.

Molecular Properties

Compound Name2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate
PubChem CID70287152
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate
SMILESCOC(=O)[C@@]1(C(=O)OC(C)(C)C)C[C@@H](N)CCN1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)12(9(15)17-4)7-8(13)5-6-14-12/h8,14H,5-7,13H2,1-4H3/t8-,12+/m0/s1
InChIKeyZXUZVHBUTAGXCM-QPUJVOFHSA-N
XLogP-0.05
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate 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 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate?
The IUPAC name of 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate (CID 70287152) is 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate.
What is the SMILES notation for 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate?
The canonical SMILES for 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate is COC(=O)[C@@]1(C(=O)OC(C)(C)C)C[C@@H](N)CCN1.
What is the InChIKey of 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate?
The InChIKey is ZXUZVHBUTAGXCM-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)12(9(15)17-4)7-8(13)5-6-14-12/h8,14H,5-7,13H2,1-4H3/t8-,12+/m0/s1.
What are the key properties of 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate?
2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate has a molecular weight of 258.32 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O'-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-2,2-dicarboxylate is sourced from PubChem (CID 70287152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).