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1138323-75-7 | Butanoic acid, 3-methyl-2-[[[(phenylmethoxy)carbonyl]amino]methyl]-, (2R)-
CAS No: 1138323-75-7 Catalog No: AG0009U1 MDL No:MFCD18433300
Product Description
Catalog Number:
AG0009U1
Chemical Name:
Butanoic acid, 3-methyl-2-[[[(phenylmethoxy)carbonyl]amino]methyl]-, (2R)-
CAS Number:
1138323-75-7
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
MDL Number:
MFCD18433300
IUPAC Name:
(2R)-3-methyl-2-(phenylmethoxycarbonylaminomethyl)butanoic acid
InChI:
InChI=1S/C14H19NO4/c1-10(2)12(13(16)17)8-15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChI Key:
RYEFCGYTOBTQNU-LBPRGKRZSA-N
SMILES:
CC([C@@H](C(=O)O)CNC(=O)OCc1ccccc1)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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