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1241675-74-0 | 5H-Furo[2,3-c]pyrrole-5-carboxylic acid, 2-(aminomethyl)hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-
CAS No: 1241675-74-0 Catalog No: AG000LL7 MDL No:MFCD20037381
Product Description
Catalog Number:
AG000LL7
Chemical Name:
5H-Furo[2,3-c]pyrrole-5-carboxylic acid, 2-(aminomethyl)hexahydro-, 1,1-dimethylethyl ester, (3aR,6aR)-rel-
CAS Number:
1241675-74-0
Molecular Formula:
C12H22N2O3
Molecular Weight:
242.3147
MDL Number:
MFCD20037381
IUPAC Name:
tert-butyl 2-(aminomethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-5-carboxylate
InChI:
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-8-4-9(5-13)16-10(8)7-14/h8-10H,4-7,13H2,1-3H3
InChI Key:
VKZFHDQGLQGCGB-UHFFFAOYSA-N
SMILES:
NCC1O[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.319g/mol
Monoisotopic Mass:
242.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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