Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)-

HCID 3079366

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Basic information

CAS: 125503-59-5
Standard SMILES: CN(C(=O)OCCC[C@@H]1C[C@@H]2CCC[C@@H]2N1C)c1ccccc1.Cl
InChIKey: YKABCNZFJOLFTL-KLWZODLKSA-N
Molecular formula: C19H29ClN2O2
Average molar mass: 352.9 g/mol
Monoisotopic mass: 352.1917559

Names & identifiers

Preferred name: Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)-
IUPAC: 3-[(2R,3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]propyl N-methyl-N-phenylcarbamate;hydrochloride

Names & synonyms

Carbamic acid, methylphenyl-, 3-(octahydro-1-methylcyclopenta(b)pyrrol-2-yl)propyl ester, monohydrochloride, (2-alpha,3a-beta,6a-beta)-3-(1-Methyl-2-cyclopenta(b)pyrrolidinyl)-1-propyl-N-methyl-N-phenyl carbamate hydrochloride125503-59-5DTXSID10154785RefChem:332584DTXCID50772763-[(2R,3aS,6aS)-1-Methyloctahydrocyclopenta[b]pyrrol-2-yl]propyl methyl(phenyl)carbamate--hydrogen chloride (1/1)

Database identifiers

CAS: 125503-59-5
PubChem CID: 3079366
DTXSID: DTXSID10154785

Properties

Computed structural properties

Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 395

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