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827612-22-6 | L-Valine, 3-methyl-N-[(phenylamino)carbonyl]-
CAS No: 827612-22-6 Catalog No: AG004TQH MDL No:
Product Description
Catalog Number:
AG004TQH
Chemical Name:
L-Valine, 3-methyl-N-[(phenylamino)carbonyl]-
CAS Number:
827612-22-6
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
(2S)-3,3-dimethyl-2-(phenylcarbamoylamino)butanoic acid
InChI:
InChI=1S/C13H18N2O3/c1-13(2,3)10(11(16)17)15-12(18)14-9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,16,17)(H2,14,15,18)/t10-/m1/s1
InChI Key:
ISCLPPSUXSPKQD-SNVBAGLBSA-N
SMILES:
O=C(Nc1ccccc1)N[C@@H](C(C)(C)C)C(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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