1-Boc-3-methylpyrrolidine-3-carboxylic Acid - CAS 887587-09-9
Catalog: |
BB039189 |
Product Name: |
1-Boc-3-methylpyrrolidine-3-carboxylic Acid |
CAS: |
887587-09-9 |
Synonyms: |
3-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinecarboxylic acid; 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
IUPAC Name: | 3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
Description: | 1-Boc-3-methylpyrrolidine-3-carboxylic Acid (CAS# 887587-09-9) is a useful research chemical. |
Molecular Weight: | 229.27 |
Molecular Formula: | C11H19NO4 |
Canonical SMILES: | CC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)O |
InChI: | InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-5-11(4,7-12)8(13)14/h5-7H2,1-4H3,(H,13,14) |
InChI Key: | DTLBJDMWGRKALK-UHFFFAOYSA-N |
MDL: | MFCD15071411 |
LogP: | 1.65600 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210081285-A | Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133038-A1 | Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof | 20191223 |
WO-2021030711-A1 | Alkynyl quinazoline compounds | 20190815 |
TW-202038941-A | Alkyl substituted compounds | 20181228 |
WO-2020138499-A1 | Alkyl-substituted compound | 20181228 |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.13140809 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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