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30806-08-7 | β-Alanine, L-valyl-
CAS No: 30806-08-7 Catalog No: AG0031CT MDL No:
Product Description
Catalog Number:
AG0031CT
Chemical Name:
β-Alanine, L-valyl-
CAS Number:
30806-08-7
Molecular Formula:
C8H16N2O3
Molecular Weight:
188.2242
IUPAC Name:
3-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoic acid
InChI:
InChI=1S/C8H16N2O3/c1-5(2)7(9)8(13)10-4-3-6(11)12/h5,7H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t7-/m0/s1
InChI Key:
OIDHLYXOLSBIDJ-ZETCQYMHSA-N
SMILES:
N[C@H](C(=O)NCCC(=O)O)C(C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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