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1353947-25-7 | [Isopropyl-(1-thiazol-2-yl-ethyl)-amino]-acetic acid
CAS No: 1353947-25-7 Catalog No: AG01F8HK MDL No:
Product Description
Catalog Number:
AG01F8HK
Chemical Name:
[Isopropyl-(1-thiazol-2-yl-ethyl)-amino]-acetic acid
CAS Number:
1353947-25-7
Molecular Formula:
C10H16N2O2S
Molecular Weight:
228.3112
IUPAC Name:
2-[propan-2-yl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
InChI:
InChI=1S/C10H16N2O2S/c1-7(2)12(6-9(13)14)8(3)10-11-4-5-15-10/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChI Key:
BJEHSCMZCJKLOZ-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(c1nccs1)C)C(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.31g/mol
Monoisotopic Mass:
228.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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