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125982-19-6 | Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy-, ethyl ester, (4S)-
CAS No: 125982-19-6 Catalog No: AG000QMJ MDL No:
Product Description
Catalog Number:
AG000QMJ
Chemical Name:
Pentanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy-, ethyl ester, (4S)-
CAS Number:
125982-19-6
Molecular Formula:
C12H23NO5
Molecular Weight:
261.3147
IUPAC Name:
ethyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
InChI:
InChI=1S/C12H23NO5/c1-5-17-10(15)7-6-9(8-14)13-11(16)18-12(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1
InChI Key:
YJJLBIIKYNSDRO-VIFPVBQESA-N
SMILES:
CCOC(=O)CC[C@H](NC(=O)OC(C)(C)C)CO
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
261.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.318g/mol
Monoisotopic Mass:
261.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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