Basic information
- CAS
476187-32-3- Standard SMILES
COC(=O)[C@H]1CCCN[C@H]1C- InChIKey
ZORUKIWYFWDAKK-BQBZGAKWSA-N- Molecular formula
- C8H15NO2
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.11027872
Names & identifiers
- Preferred name
- Methyl (2S,3S)-2-methyl-piperidine-3-carboxylate
- IUPAC
- methyl (2S,3S)-2-methylpiperidine-3-carboxylate
- English name
- 3-Piperidinecarboxylicacid,2-methyl-,methylester,(2S,3S)-(9CI)
- Molecular formula
- C8H15NO2
- Molecular weight
- 157.21
Names & synonyms
476187-32-3(2S,3S)-METHYL 2-METHYLPIPERIDINE-3-CARBOXYLATEmethyl (2s,3s)-2-methylpiperidine-3-carboxylateMETHYL (2S,3S)-2-METHYL-PIPERIDINE-3-CARBOXYLATEMFCD04114963(2S,3S)-2-Methyl-piperidine-3-carboxylic acid methyl esterSCHEMBL20144725AKOS006294404CS-0341787F14148(2S,3S)-METHYL2-METHYLPIPERIDINE-3-CARBOXYLATE3-Piperidinecarboxylic acid, 2-methyl-, methyl ester, (2S,3S)-
Show more names
3-Piperidinecarboxylicacid,2-methyl-,methylester,(2S,3S)-(9CI)
Database identifiers
- CAS
476187-32-3- PubChem CID
- 45090270
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 205.9 · 205.9±33.0 °C(Predicted)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.10(Predicted)
Chemistry & industry
Suppliers5 total
上海安化生物技术有限公司021-61263375 18168859245
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
上海智乾生物科技有限公司[email protected]
无锡迈默拓普生物科技有限公司15061806929 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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