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1159138-98-3 | Pentanoic acid, 4,4-diMethyl-3-[[(phenylMethoxy)carbonyl]aMino]-, (3S)-
CAS No: 1159138-98-3 Catalog No: AG000H3B MDL No:MFCD18711404
Product Description
Catalog Number:
AG000H3B
Chemical Name:
Pentanoic acid, 4,4-diMethyl-3-[[(phenylMethoxy)carbonyl]aMino]-, (3S)-
CAS Number:
1159138-98-3
Molecular Formula:
C15H21NO4
Molecular Weight:
279.3315
MDL Number:
MFCD18711404
IUPAC Name:
(3S)-4,4-dimethyl-3-(phenylmethoxycarbonylamino)pentanoic acid
InChI:
InChI=1S/C15H21NO4/c1-15(2,3)12(9-13(17)18)16-14(19)20-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChI Key:
PAENHBDXAWYRRZ-LBPRGKRZSA-N
SMILES:
O=C(N[C@H](C(C)(C)C)CC(=O)O)OCc1ccccc1
Properties
Complexity:
329
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:
2
Isotope Atom Count:
0
Molecular Weight:
279.336g/mol
Monoisotopic Mass:
279.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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