CID 52361525
PubChem CID
52361525
Structure
Molecular Formula
Status
Non-live
Molecular Weight
375.4 g/mol
Dates
- Create:2011-05-20
Chemical Structure Depiction
methyl 2-[[4-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]benzoyl]amino]acetate
InChI=1S/C19H25N3O5/c1-12(23)21-17(13-5-3-4-6-13)19(26)22-15-9-7-14(8-10-15)18(25)20-11-16(24)27-2/h7-10,13,17H,3-6,11H2,1-2H3,(H,20,25)(H,21,23)(H,22,26)/t17-/m0/s1
WAPUCZLSKITHBH-KRWDZBQOSA-N
CC(=O)N[C@@H](C1CCCC1)C(=O)NC2=CC=C(C=C2)C(=O)NCC(=O)OC
C19H25N3O5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
375.4 g/mol
Property Name
XLogP3-AA
Property Value
1.5
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
375.17942091 g/mol
Property Name
Monoisotopic Mass
Property Value
375.17942091 g/mol
Property Name
Topological Polar Surface Area
Property Value
114 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
552
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS