Methyl 2-(1-benzylpyrrolidin-3-yl)acetate

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Basic information

CAS: 95274-12-7
Standard SMILES: COC(=O)CC1CCN(Cc2ccccc2)C1
InChIKey: YYQIUMJBKYPSLC-UHFFFAOYSA-N
Molecular formula: C14H19NO2
Average molar mass: 233.31 g/mol
Monoisotopic mass: 233.14157885

Names & identifiers

Preferred name: Methyl 2-(1-benzylpyrrolidin-3-yl)acetate
IUPAC: methyl 2-(1-benzylpyrrolidin-3-yl)acetate
English name: Methyl 1-benzyl-3-pyrrolidineacetate
Molecular formula: C14H19NO2
Molecular weight: 233.31

Names & synonyms

Methyl 2-(1-benzylpyrrolidin-3-yl)acetate95274-12-7Methyl 1-benzyl-3-pyrrolidineacetateMFCD04038689SCHEMBL8446486DTXSID40401592YYQIUMJBKYPSLC-UHFFFAOYSA-NVDA27412AKOS022171966AT25952Methyl (1-benzylpyrrolidin-3-yl)acetateCS-0302084

Show more names

N-Benzyl-3-(carbomethoxymethyl)pyrrolidine1-(Phenylmethyl)-3-pyrrolidineacetic acid methyl ester3-Pyrrolidineacetic acid, 1-(phenylmethyl)-, methyl ester

EN300-94715M32007Z12693172043-Pyrrolidineaceticacid, 1-(phenylmethyl)-, methyl ester

Database identifiers

CAS: 95274-12-7
PubChem CID: 4287640
DTXSID: DTXSID40401592

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 249

Physicochemical properties

Boiling point: 308.1 · 308.1±15.0 °C(Predicted)
Density: 1.081 · 1.081±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 8.9 · 8.90±0.40(Predicted)

Related reactions

1 records

New reaction record

HRID 1981325As reactantuspto-grants-1985_04

Compound notes

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