Home Carboxys (2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-methylbenzyl)pyrrolidine-2-carboxylic acid

(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-methylbenzyl)pyrrolidine-2-carboxylic acid

CAS No.:
959579-68-1
Catalog Number:
AG00IJMN
Molecular Formula:
C18H25NO4
Molecular Weight:
319.3954
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Product Description
Catalog Number:
AG00IJMN
Chemical Name:
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-methylbenzyl)pyrrolidine-2-carboxylic acid
CAS Number:
959579-68-1
Molecular Formula:
C18H25NO4
Molecular Weight:
319.3954
MDL Number:
MFCD06659407
IUPAC Name:
(2S,4R)-4-[(3-methylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C18H25NO4/c1-12-6-5-7-13(8-12)9-14-10-15(16(20)21)19(11-14)17(22)23-18(2,3)4/h5-8,14-15H,9-11H2,1-4H3,(H,20,21)/t14-,15+/m1/s1
InChI Key:
DUIWKJCOHFKTEV-CABCVRRESA-N
SMILES:
Cc1cccc(c1)C[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
319.178g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
319.401g/mol
Monoisotopic Mass:
319.178g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties