5-(Hydroxymethyl)pyrrolidine-2-carboxylic Acid - CAS 61500-97-8
Catalog: |
BB031150 |
Product Name: |
5-(Hydroxymethyl)pyrrolidine-2-carboxylic Acid |
CAS: |
61500-97-8 |
Synonyms: |
(2S)-5-(hydroxymethyl)-2-pyrrolidinecarboxylic acid; (2S)-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid |
IUPAC Name: | (2S)-5-(hydroxymethyl)pyrrolidine-2-carboxylic acid |
Description: | 5-(Hydroxymethyl)pyrrolidine-2-carboxylic Acid (CAS# 61500-97-8) is an unnatural amino acid that may induce conformational bias in proteins when incorporated within. |
Molecular Weight: | 145.16 |
Molecular Formula: | C6H11NO3 |
Canonical SMILES: | C1CC(NC1CO)C(=O)O |
InChI: | InChI=1S/C6H11NO3/c8-3-4-1-2-5(7-4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4?,5-/m0/s1 |
InChI Key: | DVMUWLPFHMMTAX-AKGZTFGVSA-N |
LogP: | -0.48730 |
Publication Number | Title | Priority Date |
US-8765953-B2 | Compounds and methods for the treatment of pain and other diseases | 20081223 |
WO-2010046713-A2 | Methods for preparing heterocyclic rings | 20081024 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.07389321 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3 |
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