1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylic acid - CAS 1027511-74-5
Catalog: |
BB000935 |
Product Name: |
1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylic acid |
CAS: |
1027511-74-5 |
Synonyms: |
3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid; 1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid |
IUPAC Name: | 1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid |
Description: | 1-benzyl-3-(tert-butoxycarbonylamino)pyrrolidine-3-carboxylic acid (CAS# 1027511-74-5 ) is a useful research chemical. |
Molecular Weight: | 320.389 |
Molecular Formula: | C17H24N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1(CCN(C1)CC2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C17H24N2O4/c1-16(2,3)23-15(22)18-17(14(20)21)9-10-19(12-17)11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,22)(H,20,21) |
InChI Key: | PXFJWKWTINVBAL-UHFFFAOYSA-N |
Boiling Point: | 474.1 ℃ at 760 mmHg |
Density: | 1.21 g/cm3 |
MDL: | MFCD09838930 |
LogP: | 2.56920 |
Publication Number | Title | Priority Date |
WO-2021053617-A1 | Mll1 inhibitors and anti-cancer agents | 20190920 |
US-2021040150-A1 | Kappa opioid receptor peptide amide agonists | 20190807 |
WO-2021026492-A1 | Kappa opioid receptor peptide amide agonists | 20190807 |
Complexity: | 440 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.17360725 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.17360725 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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Pyrrolidines
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