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171284-84-7 | (3R,7aS)-3-tert-butyldihydropyrrolo[1,2-c]oxazole-1,5(3H,6H)-dione
CAS No: 171284-84-7 Catalog No: AG00AQSQ MDL No:MFCD22124398
Product Description
Catalog Number:
AG00AQSQ
Chemical Name:
(3R,7aS)-3-tert-butyldihydropyrrolo[1,2-c]oxazole-1,5(3H,6H)-dione
CAS Number:
171284-84-7
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD22124398
IUPAC Name:
(3R,7aS)-3-tert-butyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole-1,5-dione
InChI:
InChI=1S/C10H15NO3/c1-10(2,3)9-11-6(8(13)14-9)4-5-7(11)12/h6,9H,4-5H2,1-3H3/t6-,9+/m0/s1
InChI Key:
XKHXNEYLUYSDJF-IMTBSYHQSA-N
SMILES:
O=C1CC[C@@H]2N1[C@H](OC2=O)C(C)(C)C
EC Number:
810-392-2
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| alpha-Amino acid derivatives as proton pump inhibitors and potent anti-ulcer agents. | European journal of medicinal chemistry 20070301 |
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