当前位置: 首页 » 资料 » 化学物质数据库 » 1-[3-[[(2S)-2-hydroxy-3-(phenoxy)propyl]amino]propyl]pyrrolidin-2-one

1-[3-[[(2S)-2-hydroxy-3-(phenoxy)propyl]amino]propyl]pyrrolidin-2-one

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:9
摘 要: 1-[3-[[(2S)-2-hydroxy-3-(phenoxy)propyl]amino]propyl]pyrrolidin-2-one,Canonical SMILES: C1CC(=O)N(C1)CCCNCC(COC2=CC=CC=C2)O,Isomeric SMILES: C1CC(=O)N(C1)CCCNC[C@@H](COC2=CC=CC=C2)O,InChI: InChI=1/C16H24N2O3/c19-14(13-21-15-6-2-1-3-7-15)12-17-9-5-11
[Synonyms]

[Structure]
 1-[3-[[(2S)-2-hydroxy-3-(phenoxy)propyl]amino]propyl]pyrrolidin-2-one

[ Properties Computed from Structure]
Molecular Weight292.37336 [g/mol]
Molecular FormulaC16H24N2O3
XLogP0.9
H-Bond Donor2
H-Bond Acceptor4
Rotatable Bond Count9
Tautomer Count2
Exact Mass292.178693
MonoIsotopic Mass292.178693
Topological Polar Surface Area61.8
Heavy Atom Count21
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom StereoCenter Count1
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-[3-[[(2S)-2-hydroxy-3-(phenoxy)propyl]amino]propyl]pyrrolidin-2-one
Canonical SMILES: C1CC(=O)N(C1)CCCNCC(COC2=CC=CC=C2)O
Isomeric SMILES: C1CC(=O)N(C1)CCCNC[C@@H](COC2=CC=CC=C2)O
InChI: InChI=1/C16H24N2O3/c19-14(13-21-15-6-2-1-3-7-15)12-17-9-5-11-18-10-4-8-
16(18)20/h1-3,6-7,14,17,19H,4-5,8-13H2/t14-/m0/s1

 
本文导航:
  • (1) 1-[3-[[(2S)-2-hydroxy-3-(phenoxy)propyl]amino]propyl]pyrrolidin-2-one
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注