(R,S)-4-Fmoc-3-carboxymethyl-piperazin-2-one - CAS 1029630-75-8
Catalog: |
BB064775 |
Product Name: |
(R,S)-4-Fmoc-3-carboxymethyl-piperazin-2-one |
CAS: |
1029630-75-8 |
Synonyms: |
1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-oxo-2-piperazineacetic Acid |
IUPAC Name: | 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)-3-oxopiperazin-2-yl]acetic acid |
Description: | (R,S)-4-Fmoc-3-carboxymethyl-piperazin-2-one |
Molecular Weight: | 380.39 |
Molecular Formula: | C21H20N2O5 |
Canonical SMILES: | C1CN(C(C(=O)N1)CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
InChI: | InChI=1S/C21H20N2O5/c24-19(25)11-18-20(26)22-9-10-23(18)21(27)28-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,22,26)(H,24,25) |
InChI Key: | PKGRZFQYOMMFJV-UHFFFAOYSA-N |
Complexity: | 602 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 380.13722174 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 380.13722174 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 95.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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