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1999-46-8 | Valine, alanyl-
CAS No: 1999-46-8 Catalog No: AG002CG8 MDL No:MFCD00038163
Product Description
Catalog Number:
AG002CG8
Chemical Name:
Valine, alanyl-
CAS Number:
1999-46-8
Molecular Formula:
C8H16N2O3
Molecular Weight:
188.2242
MDL Number:
MFCD00038163
IUPAC Name:
2-(2-aminopropanoylamino)-3-methylbutanoic acid
InChI:
InChI=1S/C8H16N2O3/c1-4(2)6(8(12)13)10-7(11)5(3)9/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)
InChI Key:
LIWMQSWFLXEGMA-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)N
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.227g/mol
Monoisotopic Mass:
188.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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