1-(3-Methoxy-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
Basic information
- CAS
886366-35-4- Standard SMILES
COC(=O)C(C)CN1CCC(C(=O)O)C1- InChIKey
GJTHPVJBARVULH-UHFFFAOYSA-N- Molecular formula
- C10H17NO4
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.11575802
Names & identifiers
- Preferred name
- 1-(3-Methoxy-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
- IUPAC
- 1-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
- English name
- 1-(2-Methoxycarbonyl-propyl)-pyrrolidine-3-carboxylic acid
- Molecular formula
- C10H17NO4
- Molecular weight
- 215.25
Names & synonyms
886366-35-41-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acidDTXSID70661369RefChem:224448DTXCID106121181-(2-Methoxycarbonyl-propyl)-pyrrolidine-3-carboxylic acidMFCD073699691-(2-Methoxycarbonyl-propyl)-pyrrolidine-3-carboxylicacid1-(3-Methoxy-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylicacid1-(2-methoxycarbonylpropyl)pyrrolidine-3-carboxylic acidAB32455CS-0171991
Show more names
1-Pyrrolidinepropanoic acid, 3-carboxy-α-methyl-, 1-methyl ester1-Pyrrolidinepropanoic acid, 3-carboxy-.alpha.-methyl-, 1-methyl ester1-(2-Methoxycarbonyl-propyl)-pyrrolidine-3-carboxylic acid, CAS 886366-35-4
F0406441-(3-methoxy-2-methyl-3-oxo-propyl)pyrrolidine-3-carboxylic acid
Database identifiers
- CAS
886366-35-4- PubChem CID
- 44890871
- DTXSID
DTXSID70661369- EC Number
- 676-067-0
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 348.9 · 348.9±37.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- pka
- 3.83 · 3.83±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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