Home Carbonyls Butanoic acid, 4-(dimethylamino)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-

Butanoic acid, 4-(dimethylamino)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-

CAS No.:
181518-87-6
Catalog Number:
AG0022XX
Molecular Formula:
C11H22N2O4
Molecular Weight:
246.3034
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Product Description
Catalog Number:
AG0022XX
Chemical Name:
Butanoic acid, 4-(dimethylamino)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
CAS Number:
181518-87-6
Molecular Formula:
C11H22N2O4
Molecular Weight:
246.3034
MDL Number:
MFCD24465582
IUPAC Name:
(2S)-4-(dimethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)12-8(9(14)15)6-7-13(4)5/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChI Key:
YEKMUOMXRLSQDM-QMMMGPOBSA-N
SMILES:
CN(CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
246.158g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.307g/mol
Monoisotopic Mass:
246.158g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties