1-(Methoxycarbonyl)piperidine-2-carboxylic acid
Basic information
- CAS
134902-40-2- Standard SMILES
COC(=O)N1CCCCC1C(=O)O- InChIKey
CPIPRBDFGPUWBK-UHFFFAOYSA-N- Molecular formula
- C8H13NO4
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.0844579
Names & identifiers
- Preferred name
- 1-(Methoxycarbonyl)piperidine-2-carboxylic acid
- IUPAC
- 1-methoxycarbonylpiperidine-2-carboxylic acid
- English name
- 1,2-Piperidinedicarboxylic acid, 1-methyl ester
- Molecular formula
- C8H13NO4
- Molecular weight
- 187.19
Names & synonyms
134902-40-21-(METHOXYCARBONYL)PIPERIDINE-2-CARBOXYLIC ACIDDTXSID40458682RefChem:226778DTXCID704095011-(methoxycarbonyl)-2-piperidinecarboxylic acid1-methoxycarbonylpiperidine-2-carboxylic AcidMFCD111289981-(Methoxycarbonyl)piperidine-2-carboxylicacid1,2-PIPERIDINEDICARBOXYLIC ACID 1-METHYL ESTERSCHEMBL9176935AKOS000204234
Show more names
1,2-Piperidinedicarboxylic acid, 1-methyl ester
AKOS022475103SB42671BS-36849CS-0337704F3132591,2-Piperidinedicarboxylic acid, 1-methyl ester
Database identifiers
- CAS
134902-40-2- PubChem CID
- 11206243
- DTXSID
DTXSID40458682- Nikkaji
- J1.304.220I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 330.9 · 330.9±35.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 4.02 · 4.02±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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