3-(2-Chloroacetamido)Propanoic Acid 3-(2-氯乙酰氨基)丙酸

CAS 4596-38-7 MFCD00045938

化学结构图

4596-38-7
SMILES: O=C(O)CCNC(=O)CCl

化学属性

Mol. FormulaC5H8ClNO3
Mol. Weight165.57
Melting Point91 °C

别名和识别编码

Chemical Name3-(2-Chloroacetamido)Propanoic Acid
CAS Number4596-38-7
Alfabeta NameCHLOROACETYLALANINE BETAN2()----
MDL NumberMFCD00045938
Chemical Name Translation3-(2-氯乙酰氨基)丙酸
LabNetwork Molecule IDLN00151150
PubChem Substance ID2795112
InChIInChI=1S/C5H8ClNO3/c6-3-4(8)7-2-1-5(9)10/h1-3H2,(H,7,8)(H,9,10)
Synonym 3-(2-Chloroacetamido)propanoic acid {LY} 3-(2-Chloroacetamido)propanoic acid {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(2-Chloroacetamido)propanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(2-Chloroace
Canonical SMILESClCC(NCCC(O)=O)=O
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分类

  • {KO} ReacChlorides
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
4
H-bond Donors
2
LogP
-4.720000000000000e-001

系列性分类

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