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101968-85-8 | L-Valine, N-[[(1,1-dimethylethyl)amino]carbonyl]-3-methyl-
CAS No: 101968-85-8 Catalog No: AG00063V MDL No:MFCD12796012
Product Description
Catalog Number:
AG00063V
Chemical Name:
L-Valine, N-[[(1,1-dimethylethyl)amino]carbonyl]-3-methyl-
CAS Number:
101968-85-8
Molecular Formula:
C11H22N2O3
Molecular Weight:
230.3040
MDL Number:
MFCD12796012
IUPAC Name:
(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C11H22N2O3/c1-10(2,3)7(8(14)15)12-9(16)13-11(4,5)6/h7H,1-6H3,(H,14,15)(H2,12,13,16)/t7-/m1/s1
InChI Key:
RAAPXVRHYBAJQU-SSDOTTSWSA-N
SMILES:
O=C(NC(C)(C)C)N[C@@H](C(C)(C)C)C(=O)O
EC Number:
600-257-4
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.308g/mol
Monoisotopic Mass:
230.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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