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179185-78-5 | 1H-Indene-1-acetic acid, α-amino-2,3-dihydro-
CAS No: 179185-78-5 Catalog No: AG0026TX MDL No:MFCD20658678
Product Description
Catalog Number:
AG0026TX
Chemical Name:
1H-Indene-1-acetic acid, α-amino-2,3-dihydro-
CAS Number:
179185-78-5
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD20658678
IUPAC Name:
2-amino-2-(2,3-dihydro-1H-inden-1-yl)acetic acid
InChI:
InChI=1S/C11H13NO2/c12-10(11(13)14)9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6,12H2,(H,13,14)
InChI Key:
ASAYGFYEVSZTBI-UHFFFAOYSA-N
SMILES:
OC(=O)C(C1CCc2c1cccc2)N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Incorporation of noncanonical amino acids into Rosetta and use in computational protein-peptide interface design. | PloS one 20120101 |
| NMR studies of new arginine vasopressin analogs modified with alpha-2-indanylglycine enantiomers at position 2 bound to sodium dodecyl sulfate micelles. | Biophysical chemistry 20101001 |
| Novel analogues of arginine vasopressin containing alpha-2-indanylglycine enantiomers in position 2. | Journal of peptide science : an official publication of the European Peptide Society 20100101 |
| Synthesis of constrained phenylalanine derivatives via a [2+2+2] cycloaddition strategy. | Bioorganic & medicinal chemistry 20020701 |
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