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133010-11-4 | Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-4-oxo-, phenylmethyl ester, (3S)-
CAS No: 133010-11-4 Catalog No: AG0011J5 MDL No:MFCD23701512
Product Description
Catalog Number:
AG0011J5
Chemical Name:
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-4-oxo-, phenylmethyl ester, (3S)-
CAS Number:
133010-11-4
Molecular Formula:
C16H20FNO5
Molecular Weight:
325.3321
MDL Number:
MFCD23701512
IUPAC Name:
benzyl (3S)-4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate
InChI:
InChI=1S/C16H20FNO5/c1-16(2,3)23-15(21)18-12(14(17)20)9-13(19)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,18,21)/t12-/m0/s1
InChI Key:
JGAYWOLCVLNHQD-LBPRGKRZSA-N
SMILES:
O=C(C[C@@H](C(=O)F)NC(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
325.133g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.336g/mol
Monoisotopic Mass:
325.133g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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