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261896-36-0 | 3-Pyrrolidinecarboxylic acid, 4-(1-methylethyl)-, (3R,4R)-rel-
CAS No: 261896-36-0 Catalog No: AG002S53 MDL No:MFCD15142765
Product Description
Catalog Number:
AG002S53
Chemical Name:
3-Pyrrolidinecarboxylic acid, 4-(1-methylethyl)-, (3R,4R)-rel-
CAS Number:
261896-36-0
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
MDL Number:
MFCD15142765
IUPAC Name:
(3R,4R)-4-propan-2-ylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C8H15NO2/c1-5(2)6-3-9-4-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7+/m1/s1
InChI Key:
NQULSPPHDFWDLL-RQJHMYQMSA-N
SMILES:
CC([C@H]1CNC[C@@H]1C(=O)O)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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