Home Carbonyls Racemic-2-((3aR,4S,7aS)-2-(tert-butoxycarbonyl)octahydro-1H-isoindol-4-yl)acetic acid

Racemic-2-((3aR,4S,7aS)-2-(tert-butoxycarbonyl)octahydro-1H-isoindol-4-yl)acetic acid

CAS No.:
1251012-17-5
Catalog Number:
AG00HI1E
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
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Product Description
Catalog Number:
AG00HI1E
Chemical Name:
Racemic-2-((3aR,4S,7aS)-2-(tert-butoxycarbonyl)octahydro-1H-isoindol-4-yl)acetic acid
CAS Number:
1251012-17-5
Molecular Formula:
C15H25NO4
Molecular Weight:
283.3633
MDL Number:
MFCD12198709
IUPAC Name:
2-[(3aR,4S,7aS)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl]acetic acid
InChI:
InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-8-11-6-4-5-10(7-13(17)18)12(11)9-16/h10-12H,4-9H2,1-3H3,(H,17,18)/t10-,11+,12+/m0/s1
InChI Key:
JRNSBMLUBXVBQS-QJPTWQEYSA-N
SMILES:
OC(=O)C[C@@H]1CCC[C@H]2[C@@H]1CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
388  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
283.178g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.368g/mol
Monoisotopic Mass:
283.178g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties