200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 10068-65-2
10068-65-2 | Carbamic acid, [2-(1,1-dimethylethoxy)-1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]propyl]-, phenylmethyl ester, [R-(R*,S*)]- (9CI)
CAS No: 10068-65-2 Catalog No: AG0002ME MDL No:MFCD00153346
Product Description
Catalog Number:
AG0002ME
Chemical Name:
Carbamic acid, [2-(1,1-dimethylethoxy)-1-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]propyl]-, phenylmethyl ester, [R-(R*,S*)]- (9CI)
CAS Number:
10068-65-2
Molecular Formula:
C20H26N2O7
Molecular Weight:
406.4296
MDL Number:
MFCD00153346
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) (2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate
InChI:
InChI=1S/C20H26N2O7/c1-13(28-20(2,3)4)17(18(25)29-22-15(23)10-11-16(22)24)21-19(26)27-12-14-8-6-5-7-9-14/h5-9,13,17H,10-12H2,1-4H3,(H,21,26)/t13-,17+/m1/s1
InChI Key:
AKQWPEOOTKFCGI-DYVFJYSZSA-N
SMILES:
O=C(N[C@@H]([C@H](OC(C)(C)C)C)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
406.174g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.435g/mol
Monoisotopic Mass:
406.174g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.