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146398-02-9 | Butanoic acid, 4-hydroxy-3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 146398-02-9 Catalog No: AG001DYU MDL No:MFCD23135880
Product Description
Catalog Number:
AG001DYU
Chemical Name:
Butanoic acid, 4-hydroxy-3-[[(phenylmethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
146398-02-9
Molecular Formula:
C16H23NO5
Molecular Weight:
309.3575
MDL Number:
MFCD23135880
IUPAC Name:
tert-butyl (3S)-4-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
InChI:
InChI=1S/C16H23NO5/c1-16(2,3)22-14(19)9-13(10-18)17-15(20)21-11-12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChI Key:
IVQADIBBXAAFHJ-ZDUSSCGKSA-N
SMILES:
OC[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.362g/mol
Monoisotopic Mass:
309.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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