L-2-Amino-4-methoxy-trans-but-3-enoic Acid - CAS 35891-72-6
Catalog: |
BB074506 |
Product Name: |
L-2-Amino-4-methoxy-trans-but-3-enoic Acid |
CAS: |
35891-72-6 |
Synonyms: |
(2S,3E)-2-Amino-4-methoxy-3-butenoic Acid; Ro 07-7957; trans-L-2-Amino-4-methoxy-3-butenoic Acid; [S-(E)]-2-Amino-4-methoxy-3-butenoic Acid |
IUPAC Name: | (E,2S)-2-amino-4-methoxybut-3-enoic acid |
Molecular Weight: | 131.13 |
Molecular Formula: | C5H9NO3 |
Canonical SMILES: | COC=CC(C(=O)O)N |
InChI: | InChI=1S/C5H9NO3/c1-9-3-2-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)/b3-2+/t4-/m0/s1 |
InChI Key: | HLOPMQJRUIOMJO-ZPYNKGFJSA-N |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 131.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 131.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -2.9 |
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