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250611-08-6 | Butanoic acid, 4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2S)-
CAS No: 250611-08-6 Catalog No: AG002QB7 MDL No:MFCD02259473
Product Description
Catalog Number:
AG002QB7
Chemical Name:
Butanoic acid, 4-amino-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1,1-dimethylethyl ester, hydrochloride (1:1), (2S)-
CAS Number:
250611-08-6
Molecular Formula:
C13H27ClN2O4
Molecular Weight:
310.8175
MDL Number:
MFCD02259473
IUPAC Name:
tert-butyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;hydrochloride
InChI:
InChI=1S/C13H26N2O4.ClH/c1-12(2,3)18-10(16)9(7-8-14)15-11(17)19-13(4,5)6;/h9H,7-8,14H2,1-6H3,(H,15,17);1H/t9-;/m0./s1
InChI Key:
PIFRQYRFCQGLRI-FVGYRXGTSA-N
SMILES:
NCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
310.166g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
310.819g/mol
Monoisotopic Mass:
310.166g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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