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1311255-15-8 | Pentanoic acid, 4-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (3S)-
CAS No: 1311255-15-8 Catalog No: AG000VKL MDL No:
Product Description
Catalog Number:
AG000VKL
Chemical Name:
Pentanoic acid, 4-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, (3S)-
CAS Number:
1311255-15-8
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
IUPAC Name:
methyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
InChI:
InChI=1S/C15H21NO4/c1-11(2)13(9-14(17)19-3)16-15(18)20-10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18)/t13-/m0/s1
InChI Key:
VFXHQDBNJXKWKM-ZDUSSCGKSA-N
SMILES:
COC(=O)C[C@@H](C(C)C)NC(=O)OCc1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
279.147g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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