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245323-45-9 | Pentanoic acid, 4-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, (3S)-
CAS No: 245323-45-9 Catalog No: AG002OG2 MDL No:
Product Description
Catalog Number:
AG002OG2
Chemical Name:
Pentanoic acid, 4-methyl-3-[[(phenylmethoxy)carbonyl]amino]-, (3S)-
CAS Number:
245323-45-9
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
(3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid
InChI:
InChI=1S/C14H19NO4/c1-10(2)12(8-13(16)17)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:
RKKWOAKMXYWOIM-LBPRGKRZSA-N
SMILES:
CC([C@H](CC(=O)O)NC(=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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