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127852-78-2 | Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (3S)-
CAS No: 127852-78-2 Catalog No: AG000XGU MDL No:
Product Description
Catalog Number:
AG000XGU
Chemical Name:
Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-hydroxy-, (3S)-
CAS Number:
127852-78-2
Molecular Formula:
C9H17NO5
Molecular Weight:
219.2350
IUPAC Name:
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10-5-6(11)4-7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)/t6-/m0/s1
InChI Key:
PEZOIOCDCZQUCM-LURJTMIESA-N
SMILES:
O[C@@H](CC(=O)O)CNC(=O)OC(C)(C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
219.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.237g/mol
Monoisotopic Mass:
219.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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