N-Boc-pyrrolidine-3-carboxylic acid - CAS 59378-75-5
Catalog: |
BB030363 |
Product Name: |
N-Boc-pyrrolidine-3-carboxylic acid |
CAS: |
59378-75-5 |
Synonyms: |
1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
IUPAC Name: | 1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
Description: | N-Boc-pyrrolidine-3-carboxylic acid (CAS# 59378-75-5) is a reactant used in the synthesis of potent and highly selective ERK1,2 inhibitors. |
Molecular Weight: | 215.25 |
Molecular Formula: | C10H17NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C1)C(=O)O |
InChI: | InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13) |
InChI Key: | HRMRQBJUFWFQLX-UHFFFAOYSA-N |
Boiling Point: | 337.2 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.201 g/cm3 |
MDL: | MFCD02179181 |
LogP: | 1.26590 |
GHS Hazard Statement: | H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-102298450-B1 | Novel compounds having anti-inflammatory activity as p38 map kinase inhibitor | 20210129 |
CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 20200306 |
WO-2021175196-A1 | Pyrrolidine integrin modulator and use thereof | 20200306 |
WO-2021175200-A1 | Ferroptosis inhibitorsâ€"diarylamine para-acetamides | 20200302 |
KR-20210081285-A | Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.11575802 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.11575802 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyrrolidines
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