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1492-11-1 | L-Leucine, N-acetyl-, methyl ester
CAS No: 1492-11-1 Catalog No: AG001LGC MDL No:MFCD00038292
Product Description
Catalog Number:
AG001LGC
Chemical Name:
L-Leucine, N-acetyl-, methyl ester
CAS Number:
1492-11-1
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD00038292
IUPAC Name:
methyl (2S)-2-acetamido-4-methylpentanoate
InChI:
InChI=1S/C9H17NO3/c1-6(2)5-8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)/t8-/m0/s1
InChI Key:
IIGAKARAJMXVOZ-QMMMGPOBSA-N
SMILES:
COC(=O)[C@@H](NC(=O)C)CC(C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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