Home Other Building Blocks methyl (2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoate hydrochloride

methyl (2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoate hydrochloride

CAS No.:
88530-34-1
Catalog Number:
AG01BHOD
Molecular Formula:
C9H14ClN3O3
Molecular Weight:
247.6788
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Product Description
Catalog Number:
AG01BHOD
Chemical Name:
methyl (2S)-2-acetamido-3-(1H-imidazol-4-yl)propanoate hydrochloride
CAS Number:
88530-34-1
Molecular Formula:
C9H14ClN3O3
Molecular Weight:
247.6788
MDL Number:
MFCD28145353
IUPAC Name:
methyl (2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoate;hydrochloride
InChI:
InChI=1S/C9H13N3O3.ClH/c1-6(13)12-8(9(14)15-2)3-7-4-10-5-11-7;/h4-5,8H,3H2,1-2H3,(H,10,11)(H,12,13);1H/t8-;/m0./s1
InChI Key:
HVWFUJLHAPALNI-QRPNPIFTSA-N
SMILES:
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C.Cl
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
247.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
247.679g/mol
Monoisotopic Mass:
247.072g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties