Home Carboxys rac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid, trans

rac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid, trans

CAS No.:
1969287-99-7
Catalog Number:
AG01B5N7
Molecular Formula:
C15H23N3O4
Molecular Weight:
309.3608
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Product Description
Catalog Number:
AG01B5N7
Chemical Name:
rac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid, trans
CAS Number:
1969287-99-7
Molecular Formula:
C15H23N3O4
Molecular Weight:
309.3608
MDL Number:
MFCD30181814
IUPAC Name:
(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C15H23N3O4/c1-9-10(6-16-17(9)5)11-7-18(8-12(11)13(19)20)14(21)22-15(2,3)4/h6,11-12H,7-8H2,1-5H3,(H,19,20)/t11-,12+/m0/s1
InChI Key:
WYINRPPTGKQCGA-NWDGAFQWSA-N
SMILES:
O=C(N1C[C@H]([C@@H](C1)c1cnn(c1C)C)C(=O)O)OC(C)(C)C
Properties
Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
309.169g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
309.366g/mol
Monoisotopic Mass:
309.169g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties