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10270-94-7 | Butanoic acid, 2-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
CAS No: 10270-94-7 Catalog No: AG000866 MDL No:MFCD00236842
Product Description
Catalog Number:
AG000866
Chemical Name:
Butanoic acid, 2-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
CAS Number:
10270-94-7
Molecular Formula:
C9H18N2O4
Molecular Weight:
218.2502
MDL Number:
MFCD00236842
IUPAC Name:
(2S)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C9H18N2O4/c1-9(2,3)15-8(14)11-5-4-6(10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)(H,12,13)/t6-/m0/s1
InChI Key:
ICJFZQLAIOCZNG-LURJTMIESA-N
SMILES:
N[C@H](C(=O)O)CCNC(=O)OC(C)(C)C
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
218.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
218.253g/mol
Monoisotopic Mass:
218.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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