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114781-12-3 | Undecanoic acid, 2-amino-2-methyl-, (2S)-
CAS No: 114781-12-3 Catalog No: AG000F7T MDL No:
Product Description
Catalog Number:
AG000F7T
Chemical Name:
Undecanoic acid, 2-amino-2-methyl-, (2S)-
CAS Number:
114781-12-3
Molecular Formula:
C12H25NO2
Molecular Weight:
215.3324
IUPAC Name:
2-amino-2-methylundecanoic acid
InChI:
InChI=1S/C12H25NO2/c1-3-4-5-6-7-8-9-10-12(2,13)11(14)15/h3-10,13H2,1-2H3,(H,14,15)
InChI Key:
AVOOJFIWCZFMNT-UHFFFAOYSA-N
SMILES:
CCCCCCCCC[C@@](C(=O)O)(N)C
NSC Number:
29625
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.189g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.337g/mol
Monoisotopic Mass:
215.189g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Allylation and propargylation of chiral cyanopropanoates: an efficient route to long chain alpha-substituted alpha-methyl alpha-amino acids. | Chirality 20040201 |
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