Home Carbonyls rac-2-{4-[(3R,4R)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidin-3-yl]-1H-1,2,3-triazol-1-yl}acetic acid, trans

rac-2-{4-[(3R,4R)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidin-3-yl]-1H-1,2,3-triazol-1-yl}acetic acid, trans

CAS No.:
1989638-26-7
Catalog Number:
AG01B6RS
Molecular Formula:
C14H22N4O5
Molecular Weight:
326.3483
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Product Description
Catalog Number:
AG01B6RS
Chemical Name:
rac-2-{4-[(3R,4R)-1-[(tert-butoxy)carbonyl]-4-methoxypyrrolidin-3-yl]-1H-1,2,3-triazol-1-yl}acetic acid, trans
CAS Number:
1989638-26-7
Molecular Formula:
C14H22N4O5
Molecular Weight:
326.3483
MDL Number:
MFCD30347880
IUPAC Name:
2-[4-[(3S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]triazol-1-yl]acetic acid
InChI:
InChI=1S/C14H22N4O5/c1-14(2,3)23-13(21)17-5-9(11(7-17)22-4)10-6-18(16-15-10)8-12(19)20/h6,9,11H,5,7-8H2,1-4H3,(H,19,20)/t9-,11+/m0/s1
InChI Key:
KHZBWEJJKHQQGG-GXSJLCMTSA-N
SMILES:
CO[C@@H]1CN(C[C@H]1c1nnn(c1)CC(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
453  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
326.159g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.353g/mol
Monoisotopic Mass:
326.159g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties