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129786-68-1 | 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (R)- (9CI)
CAS No: 129786-68-1 Catalog No: AG000TO4 MDL No:MFCD08063986
Product Description
Catalog Number:
AG000TO4
Chemical Name:
4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (R)- (9CI)
CAS Number:
129786-68-1
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
MDL Number:
MFCD08063986
IUPAC Name:
(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI:
InChI=1S/C11H19NO4/c1-6-7-11(5,8(13)14)12-9(15)16-10(2,3)4/h6H,1,7H2,2-5H3,(H,12,15)(H,13,14)/t11-/m1/s1
InChI Key:
XVMAKOPYGXUPPU-LLVKDONJSA-N
SMILES:
C=CC[C@](C(=O)O)(NC(=O)OC(C)(C)C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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