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162537-11-3 | L-Valine, N-(methoxycarbonyl)-3-methyl-
CAS No: 162537-11-3 Catalog No: AG001T8V MDL No:MFCD07778455
Product Description
Catalog Number:
AG001T8V
Chemical Name:
L-Valine, N-(methoxycarbonyl)-3-methyl-
CAS Number:
162537-11-3
Molecular Formula:
C8H15NO4
Molecular Weight:
189.2090
MDL Number:
MFCD07778455
IUPAC Name:
(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C8H15NO4/c1-8(2,3)5(6(10)11)9-7(12)13-4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1
InChI Key:
NWPRXAIYBULIEI-RXMQYKEDSA-N
SMILES:
COC(=O)N[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.211g/mol
Monoisotopic Mass:
189.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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