benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate

C14H20N2O2 — CID 67432326

IUPACbenzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1[C@H](N)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-13(15)8-5-9-16(11)14(17)18-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,15H2,1H3/t11-,13+/m0/s1
InChIKeyDQLSXOAEXCBESC-WCQYABFASA-N
MW248.33 g/mol
LogP2.13
Rot. Bonds2

About benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate

benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate (PubChem CID 67432326) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
PubChem CID67432326
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namebenzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
SMILESC[C@H]1[C@H](N)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11-13(15)8-5-9-16(11)14(17)18-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,15H2,1H3/t11-,13+/m0/s1
InChIKeyDQLSXOAEXCBESC-WCQYABFASA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate 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

benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167
benzyl (2S,3R)-2-methyl-3-(methylamino)piperidine-1-carboxylate
CID 68500864
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
1-O-benzyl 3-O-ethyl (2S,3R)-2-methylpiperidine-1,3-dicarboxylate
CID 124582434
benzyl 2,4-dimethylazepane-1-carboxylate
CID 118248110
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873
benzyl 4-hydroxy-2-methylazepane-1-carboxylate
CID 118230323
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
benzyl (2S)-2-(1-bromoethyl)pyrrolidine-1-carboxylate
CID 67770305
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841

Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate (CID 67432326) is benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate is C[C@H]1[C@H](N)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate?
The InChIKey is DQLSXOAEXCBESC-WCQYABFASA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-13(15)8-5-9-16(11)14(17)18-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10,15H2,1H3/t11-,13+/m0/s1.
What are the key properties of benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate?
benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 67432326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).