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1365570-27-9 | Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1365570-27-9 Catalog No: AG001226 MDL No:MFCD22415193
Product Description
Catalog Number:
AG001226
Chemical Name:
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1365570-27-9
Molecular Formula:
C13H23NO3
Molecular Weight:
241.3266
MDL Number:
MFCD22415193
IUPAC Name:
tert-butyl 5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
InChI:
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-6-10-4-9(8-15)5-11(10)7-14/h9-11,15H,4-8H2,1-3H3
InChI Key:
XRNJMGKDWQLIJX-UHFFFAOYSA-N
SMILES:
OCC1CC2C(C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.331g/mol
Monoisotopic Mass:
241.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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