Benzyl 2-[Benzyl[2-(Boc-amino)ethyl]amino]acetate - CAS 174799-94-1
Catalog: |
BB013043 |
Product Name: |
Benzyl 2-[Benzyl[2-(Boc-amino)ethyl]amino]acetate |
CAS: |
174799-94-1 |
Synonyms: |
2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl-(phenylmethyl)amino]acetic acid (phenylmethyl) ester; benzyl 2-[benzyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate |
IUPAC Name: | benzyl 2-[benzyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate |
Description: | Benzyl 2-[Benzyl[2-(Boc-amino)ethyl]amino]acetate (CAS# 174799-94-1 ) is a useful research chemical. |
Molecular Weight: | 398.50 |
Molecular Formula: | C23H30N2O4 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCN(CC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C23H30N2O4/c1-23(2,3)29-22(27)24-14-15-25(16-19-10-6-4-7-11-19)17-21(26)28-18-20-12-8-5-9-13-20/h4-13H,14-18H2,1-3H3,(H,24,27) |
InChI Key: | VOLHBAAHYRYRCS-UHFFFAOYSA-N |
LogP: | 4.14760 |
Publication Number | Title | Priority Date |
US-2004039224-A1 | T-butoxycarbonylaminoethylamine for the synthesis of pna monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them | 20000905 |
US-6919476-B2 | T-butoxycarbonylaminoethylamine for the synthesis of PNA monomer units, amino acid derivatives, intermediates thereof, and processes for productions of them | 20000905 |
US-7351852-B2 | T-butoxycarbonylaminoethylamine for the synthesis of PNA monomer units, amino acid derivatives, intermediates therof, and processes for productions of them | 20000905 |
US-2008167491-A1 | T-butoxycarbonylaminoethylamine for the Synthesis of PNA Monomer Units, Amino Acid Derivatives, Intermediates Thereof, and Processes for Productions of Them | 20000509 |
Complexity: | 492 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 398.22055744 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 398.22055744 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 67.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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