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158851-30-0 | Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-
CAS No: 158851-30-0 Catalog No: AG001QYF MDL No:MFCD00270345
Product Description
Catalog Number:
AG001QYF
Chemical Name:
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (3S)-
CAS Number:
158851-30-0
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
MDL Number:
MFCD00270345
IUPAC Name:
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChI Key:
PYNDHEONPQYIAN-LURJTMIESA-N
SMILES:
C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Transport and signaling via the amino acid binding site of the yeast Gap1 amino acid transceptor. | Nature chemical biology 20090101 |
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