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

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

CAS No.:
220424-73-7
Catalog Number:
AG00C3LG
Molecular Formula:
C19H27NO4
Molecular Weight:
333.4220
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Product Description
Catalog Number:
AG00C3LG
Chemical Name:
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-phenylpropyl)pyrrolidine-2-carboxylic acid
CAS Number:
220424-73-7
Molecular Formula:
C19H27NO4
Molecular Weight:
333.4220
MDL Number:
MFCD06659444
IUPAC Name:
(2S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(3-phenylpropyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C19H27NO4/c1-19(2,3)24-18(23)20-13-15(12-16(20)17(21)22)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15-16H,7,10-13H2,1-3H3,(H,21,22)/t15-,16+/m1/s1
InChI Key:
OCUJXRNPSZBQPM-CVEARBPZSA-N
SMILES:
O=C(N1C[C@@H](C[C@H]1C(=O)O)CCCc1ccccc1)OC(C)(C)C
Properties
Complexity:
437  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
333.194g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
333.428g/mol
Monoisotopic Mass:
333.194g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties