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Home > Imidazoles > 1396966-81-6
1396966-81-6 | N-(4,5-dihydro-1H-imidazol-2-yl)alanine
CAS No: 1396966-81-6 Catalog No: AG00J1YO MDL No:MFCD05668262
Product Description
Catalog Number:
AG00J1YO
Chemical Name:
N-(4,5-dihydro-1H-imidazol-2-yl)alanine
CAS Number:
1396966-81-6
Molecular Formula:
C6H11N3O2
Molecular Weight:
157.1704
MDL Number:
MFCD05668262
IUPAC Name:
2-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid
InChI:
InChI=1S/C6H11N3O2/c1-4(5(10)11)9-6-7-2-3-8-6/h4H,2-3H2,1H3,(H,10,11)(H2,7,8,9)
InChI Key:
AJSRGDZWHXLRQT-UHFFFAOYSA-N
SMILES:
OC(=O)C(NC1=NCCN1)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
157.173g/mol
Monoisotopic Mass:
157.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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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