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123311-18-2 | Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethyl-
CAS No: 123311-18-2 Catalog No: AG000KBT MDL No:
Product Description
Catalog Number:
AG000KBT
Chemical Name:
Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2,2-dimethyl-
CAS Number:
123311-18-2
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
IUPAC Name:
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H19NO4/c1-9(2,3)16-8(15)12-11(7(13)14)6-10(11,4)5/h6H2,1-5H3,(H,12,15)(H,13,14)
InChI Key:
OYYZOJAZPUWXIS-UHFFFAOYSA-N
SMILES:
O=C(NC1(CC1(C)C)C(=O)O)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Synthesis and HPLC enantioseparation of the cyclopropane analogue of valine (c3Val). | Chirality 20050101 |
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