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84860-35-5 | (2R)-2-(cyclohexylcarbamoylamino)-3-methyl-butanoate
CAS No: 84860-35-5 Catalog No: AG004QNI MDL No:
Product Description
Catalog Number:
AG004QNI
Chemical Name:
(2R)-2-(cyclohexylcarbamoylamino)-3-methyl-butanoate
CAS Number:
84860-35-5
Molecular Formula:
C12H21N2O3-
Molecular Weight:
241.3067
IUPAC Name:
3-methyl-2-(phenylcarbamoylamino)butanoic acid
InChI:
InChI=1S/C12H16N2O3/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,15,16)(H2,13,14,17)
InChI Key:
IIJAEFRNONKHQP-UHFFFAOYSA-N
SMILES:
CC([C@H](C(=O)[O-])NC(=O)NC1CCCCC1)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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