(S)-1-乙酰基-2,3-二氢-1H-吲哚-2-羧酸 | 82950-72-9
(S)-1-乙酰基-2,3-二氢-1H-吲哚-2-羧酸
(s)-1-acetyl-2,3-dihydro-1h-indole-2-carboxylic acid
82950-72-9
C11H11NO3
205.209943056107
名称和标识符
MDL |
MFCD04972422 |
InChIKey |
OGMIMMRKTFZDKW-JTQLQIEISA-N |
Inchi |
InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1 |
SMILES |
CC(=O)N1C(CC2=CC=CC=C21)C(=O)O |
别名信息
- 中文别名 -
- (S)-1-乙酰基-2,3-二氢-1H-吲哚-2-羧酸
- 英文别名 -
- (s)-1-acetyl-2,3-dihydro-1h-indole-2-carboxylic acid
- 1-acetyl-2,3-indoline-2-carboxylic acid
- (2S)-1-ACETYL-2,3-DIHYDROINDOLE-2-CARBOXYLIC ACID
- (2S)-1-ACETYL-2,3-DIHYDROINDOLE-2-CARBOXYLIC ACID
- (2S)-1-ACETYL-2,3-DIHYDROINDOLE-2-CARBOXYLIC ACID
- CS-0256688
- CS-0256688
- CS-0256688
- 82950-72-9
- 82950-72-9
- 82950-72-9
- OGMIMMRKTFZDKW-JTQLQIEISA-N
- OGMIMMRKTFZDKW-JTQLQIEISA-N
- OGMIMMRKTFZDKW-JTQLQIEISA-N
- EN300-65099
- EN300-65099
- EN300-65099
- AC-12595
- AC-12595
- AC-12595
- (S)-N-acetyl-indoline-2-carboxylic acid
- (S)-N-acetyl-indoline-2-carboxylic acid
- (2S)-1-acetyl-2,3-dihydro-1H-indole-2-carboxylic acid
- (S)-N-acetyl-indoline-2-carboxylic acid
- (2S)-1-acetyl-2,3-dihydro-1H-indole-2-carboxylic acid
- (S)-1-Acetylindoline-2-carboxylicacid
- (2S)-1-acetyl-2,3-dihydro-1H-indole-2-carboxylic acid
- (S)-1-Acetylindoline-2-carboxylicacid
- (S)-1-Acetyl-2,3-dihydro-1H-indole-2-carboxylic acid
- (S)-1-Acetylindoline-2-carboxylicacid
- (S)-1-Acetyl-2,3-dihydro-1H-indole-2-carboxylic acid
- Z756463994
- (S)-1-Acetyl-2,3-dihydro-1H-indole-2-carboxylic acid
- Z756463994
- AKOS010385130
- Z756463994
- AKOS010385130
- SCHEMBL2830596
- AKOS010385130
- SCHEMBL2830596
- (S)-1-Acetylindoline-2-carboxylic acid
- SCHEMBL2830596
- (S)-1-Acetylindoline-2-carboxylic acid
- DTXSID50468297
- (S)-1-Acetylindoline-2-carboxylic acid
- DTXSID50468297
- MFCD04972422
- DTXSID50468297
- MFCD04972422
- MFCD04972422
物化性质
计算特性
精确分子量 |
205.07389321g/mol |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
1 |
同位素质量 |
205.07389321g/mol |
重原子数量 |
15 |
复杂度 |
290 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
1 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
0.9 |
拓扑分子极性表面积 |
57.6Ų |