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79839-26-2 | (S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxopyrrolidin-1-yl)acetic acid
CAS No: 79839-26-2 Catalog No: AG00564N MDL No:MFCD02684392
Product Description
Catalog Number:
AG00564N
Chemical Name:
(S)-2-(3-((tert-Butoxycarbonyl)amino)-2-oxopyrrolidin-1-yl)acetic acid
CAS Number:
79839-26-2
Molecular Formula:
C11H18N2O5
Molecular Weight:
258.2710
MDL Number:
MFCD02684392
IUPAC Name:
2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid
InChI:
InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)12-7-4-5-13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,12,17)(H,14,15)/t7-/m0/s1
InChI Key:
UYBMLDXQOFMMED-ZETCQYMHSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCN(C1=O)CC(=O)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
258.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.274g/mol
Monoisotopic Mass:
258.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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