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90989-12-1 | (S)-2-Aminohex-5-enoic acid
CAS No: 90989-12-1 Catalog No: AG006FS0 MDL No:MFCD08272861
Product Description
Catalog Number:
AG006FS0
Chemical Name:
(S)-2-Aminohex-5-enoic acid
CAS Number:
90989-12-1
Molecular Formula:
C6H11NO2
Molecular Weight:
129.1570
MDL Number:
MFCD08272861
IUPAC Name:
(2S)-2-aminohex-5-enoic acid
InChI:
InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1
InChI Key:
NPSWHDAHNWWMEG-YFKPBYRVSA-N
SMILES:
N[C@H](C(=O)O)CCC=C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
129.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
129.159g/mol
Monoisotopic Mass:
129.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Cyclic opioid peptide agonists and antagonists obtained via ring-closing metathesis. | Chemical biology & drug design 20091001 |
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