Methyl 6-((tert-butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylate
Basic information
- CAS
170508-14-2- Standard SMILES
COC(=O)C1CC2(CC(NC(=O)OC(C)(C)C)C2)C1- InChIKey
QUQKSJIPMWXDSA-UHFFFAOYSA-N- Molecular formula
- C14H23NO4
- Average molar mass
- 269.34 g/mol
- Monoisotopic mass
- 269.16270821
Names & identifiers
- Preferred name
- Methyl 6-((tert-butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylate
- IUPAC
- methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-6-carboxylate
- English name
- Methyl 6-((tert-butoxycarbonyl)aMino)spiro[3.3]heptane-2-carboxylate
- Molecular formula
- C14H23NO4
- Molecular weight
- 269.34
Names & synonyms
170508-14-2methyl 6-(Boc-amino)spiro[3.3]heptane-2-carboxylateMethyl 6-((tert-butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylateMFCD18425636methyl 6-{[(tert-butoxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylate6-[(tert-Butoxycarbonyl)amino]spiro[3.3]heptane-2-carboxylic acid methyl ester6-[(tert-Butoxycarbonyl)amino]spiro[3.3]-heptane-2-carboxylic acid methyl esterMethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-6-carboxylatemethyl 2-(tert-butoxycarbonylamino)spiro[3.3]heptane-6-carboxylatemethyl 6-[(tert-butoxycarbonyl)amino]spiro[3.3]heptane-2-carboxylateMETHYL 6-(TERT-BUTOXYCARBONYLAMINO)SPIRO[3.3]HEPTANE-2-CARBOXYLATEorb3177038
Show more names
6-[(tert-Butoxycarbonyl)amino]spiro[3.3]heptane-2-carboxylic acid methyl ester - B6144SPIRO[3.3]HEPTANE-2-CARBOXYLIC ACID, 6-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-, METHYL ESTER
SCHEMBL21222354DTXSID60437611Methyl6-((tert-butoxycarbonyl)amino)spiro[3.3]heptane-2-carboxylateAKOS015950374PB24406AS-34916SY097195DB-119480
Database identifiers
- CAS
170508-14-2- PubChem CID
- 10265083
- DTXSID
DTXSID60437611
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 370.3 · 370.3±41.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 12.29 · 12.29±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- warning
- Hazard statements
- 303 · H303-H313-H333
- Precautionary statements
- 312 · P312-P304+P312
- HS Code
- 2922498590 · 2922498590
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
- hs_code
- 2922498590
- Signal word
- warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H313-H333
- Precautionary statements
- P312-P304+P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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