Home Carboxys rac-(2R,3R)-3-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, trans

rac-(2R,3R)-3-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, trans

CAS No.:
1909301-33-2
Catalog Number:
AG01C2VG
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
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Product Description
Catalog Number:
AG01C2VG
Chemical Name:
rac-(2R,3R)-3-{[(benzyloxy)carbonyl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, trans
CAS Number:
1909301-33-2
Molecular Formula:
C16H17NO4
Molecular Weight:
287.3105
MDL Number:
MFCD29055150
IUPAC Name:
(2S,3S)-3-(phenylmethoxycarbonylamino)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
InChI:
InChI=1S/C16H17NO4/c18-15(19)13-11-6-7-12(8-11)14(13)17-16(20)21-9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2,(H,17,20)(H,18,19)/t11?,12?,13-,14-/m0/s1
InChI Key:
DGRPAZJZBQTEPY-HOAMVYINSA-N
SMILES:
O=C(N[C@H]1C2C=CC([C@@H]1C(=O)O)C2)OCc1ccccc1
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
287.116g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
287.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties