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1263046-12-3 | 4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, ethyl ester, (2R)-
CAS No: 1263046-12-3 Catalog No: AG000SI3 MDL No:
Product Description
Catalog Number:
AG000SI3
Chemical Name:
4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, ethyl ester, (2R)-
CAS Number:
1263046-12-3
Molecular Formula:
C13H23NO4
Molecular Weight:
257.3260
IUPAC Name:
ethyl (2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
InChI:
InChI=1S/C13H23NO4/c1-7-9-13(6,10(15)17-8-2)14-11(16)18-12(3,4)5/h7H,1,8-9H2,2-6H3,(H,14,16)/t13-/m1/s1
InChI Key:
LKNUZALGJAHALH-CYBMUJFWSA-N
SMILES:
CCOC(=O)[C@](NC(=O)OC(C)(C)C)(CC=C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.33g/mol
Monoisotopic Mass:
257.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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