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200282-47-9 | Butanoic acid, 4-amino-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, (3R)-
CAS No: 200282-47-9 Catalog No: AG002CNO MDL No:MFCD00151866
Product Description
Catalog Number:
AG002CNO
Chemical Name:
Butanoic acid, 4-amino-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-oxo-, (3R)-
CAS Number:
200282-47-9
Molecular Formula:
C9H16N2O5
Molecular Weight:
232.2337
MDL Number:
MFCD00151866
IUPAC Name:
(3R)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C9H16N2O5/c1-9(2,3)16-8(15)11-5(7(10)14)4-6(12)13/h5H,4H2,1-3H3,(H2,10,14)(H,11,15)(H,12,13)/t5-/m1/s1
InChI Key:
VKCARTLEXJLJBZ-RXMQYKEDSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)N)CC(=O)O
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
232.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
232.236g/mol
Monoisotopic Mass:
232.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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