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2483-62-7 | Butanoic acid, 2-amino-, methyl ester
CAS No: 2483-62-7 Catalog No: AG002PLO MDL No:MFCD03840864
Product Description
Catalog Number:
AG002PLO
Chemical Name:
Butanoic acid, 2-amino-, methyl ester
CAS Number:
2483-62-7
Molecular Formula:
C5H11NO2
Molecular Weight:
117.1463
MDL Number:
MFCD03840864
IUPAC Name:
methyl 2-aminobutanoate
InChI:
InChI=1S/C5H11NO2/c1-3-4(6)5(7)8-2/h4H,3,6H2,1-2H3
InChI Key:
ZZWPOYPWQTUZDY-UHFFFAOYSA-N
SMILES:
CCC(C(=O)OC)N
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
117.148g/mol
Monoisotopic Mass:
117.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
Literature
| Title | Journal |
|---|---|
| Native-like conformations are sampled by partially folded and disordered variants of bovine pancreatic trypsin inhibitor. | Biochemistry 20040217 |
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