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70510-40-6 | Butanoic acid, 4-amino-2-hydroxy-3,3-dimethyl-
CAS No: 70510-40-6 Catalog No: AG005IGO MDL No:MFCD00181925
Product Description
Catalog Number:
AG005IGO
Chemical Name:
Butanoic acid, 4-amino-2-hydroxy-3,3-dimethyl-
CAS Number:
70510-40-6
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
MDL Number:
MFCD00181925
IUPAC Name:
4-amino-2-hydroxy-3,3-dimethylbutanoic acid
InChI:
InChI=1S/C6H13NO3/c1-6(2,3-7)4(8)5(9)10/h4,8H,3,7H2,1-2H3,(H,9,10)
InChI Key:
NOCVLMXISGASKY-UHFFFAOYSA-N
SMILES:
NCC(C(C(=O)O)O)(C)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
147.174g/mol
Monoisotopic Mass:
147.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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