4-[Benzyl(tert-butoxycarbonyl)amino]butanoic acid - CAS 213772-01-1
Catalog: |
BB016802 |
Product Name: |
4-[Benzyl(tert-butoxycarbonyl)amino]butanoic acid |
CAS: |
213772-01-1 |
Synonyms: |
4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid |
IUPAC Name: | 4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid |
Description: | 4-[Benzyl(tert-butoxycarbonyl)amino]butanoic acid (CAS# 213772-01-1) is a useful research chemical. |
Molecular Weight: | 293.36 |
Molecular Formula: | C16H23NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N(CCCC(=O)O)CC1=CC=CC=C1 |
InChI: | InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17(11-7-10-14(18)19)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,18,19) |
InChI Key: | PCKHPPARUKMUTN-UHFFFAOYSA-N |
Boiling Point: | 446.548 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.13 g/cm3 |
LogP: | 3.28850 |
Publication Number | Title | Priority Date |
EP-1549309-A2 | Somatostatin analogue compounds | 20020426 |
EP-1549309-A4 | SOMATOSTATIN ANALOG CONNECTIONS | 20020426 |
US-2004019069-A1 | Somatostatin analogue compounds | 20020426 |
US-6872827-B2 | Somatostatin analogue compounds | 20020426 |
WO-03090677-A2 | Somatostatin analogue compounds | 20020426 |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.16270821 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.16270821 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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