3-{[(2-Chloro-acetyl)-cyclopropyl-amino]-methyl}-pyrrolidine-1-carboxylic acid benzyl ester
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Basic information
- CAS
1353946-65-2- Standard SMILES
O=C(OCc1ccccc1)N1CCC(CN(C(=O)CCl)C2CC2)C1- InChIKey
GXSPIXCNUNNWJI-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O3
- Average molar mass
- 350.8 g/mol
- Monoisotopic mass
- 350.1397203
Names & identifiers
- Preferred name
- 3-{[(2-Chloro-acetyl)-cyclopropyl-amino]-methyl}-pyrrolidine-1-carboxylic acid benzyl ester
- IUPAC
- benzyl 3-[[(2-chloroacetyl)-cyclopropylamino]methyl]pyrrolidine-1-carboxylate
- English name
- 3-{[(2-Chloro-acetyl)-cyclopropyl-aMino]-Methyl}-pyrrolidine-1-carboxylic acid benzyl ester
- Molecular formula
- C18H23ClN2O3
- Molecular weight
- 350.83982
Names & synonyms
1353946-65-23-{[(2-Chloro-acetyl)-cyclopropyl-amino]-methyl}-pyrrolidine-1-carboxylic acid benzyl esterBenzyl 3-((2-chloro-N-cyclopropylacetamido)methyl)pyrrolidine-1-carboxylateDB-252295Benzyl3-((2-chloro-N-cyclopropylacetamido)methyl)pyrrolidine-1-carboxylatebenzyl 3-[[(2-chloroacetyl)-cyclopropyl-amino]methyl]pyrrolidine-1-carboxylatebenzyl 3-[[(2-chloroacetyl)-cyclopropylamino]methyl]pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-[[(2-chloroacetyl)cyclopropylamino]methyl]-, phenylmethyl ester
Database identifiers
- CAS
1353946-65-2- PubChem CID
- 66564764
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 505.8 · 505.8±43.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- -1.85 · -1.85±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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