Methyl N-[(2-Pyrrolyl)carbonyl]glycinate - CAS 62409-33-0
Catalog: |
BB056648 |
Product Name: |
Methyl N-[(2-Pyrrolyl)carbonyl]glycinate |
CAS: |
62409-33-0 |
Synonyms: |
N-(Pyrrole-2-carbonyl)-glycine Methyl Ester; N-(1H-Pyrrol-2-ylcarbonyl)methyl Ester Glycine |
IUPAC Name: | methyl 2-(1H-pyrrole-2-carbonylamino)acetate |
Description: | Methyl N-[(2-Pyrrolyl)carbonyl]glycinate is an intermediate in the synthesis of N-(1H-pyrrol-2-ylcarbonyl)-Glycine (P834600), used as a diagnostic marker of hyperprolinemia type II. |
Molecular Weight: | 182.18 |
Molecular Formula: | C8H10N2O3 |
Canonical SMILES: | COC(=O)CNC(=O)C1=CC=CN1 |
InChI: | InChI=1S/C8H10N2O3/c1-13-7(11)5-10-8(12)6-3-2-4-9-6/h2-4,9H,5H2,1H3,(H,10,12) |
InChI Key: | RTILEANRAPJCAY-UHFFFAOYSA-N |
References: | Walker, V., et al. Clinica Chimica Acta, 405, 153 (2009).. |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.06914219 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 71.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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