Basic information
- CAS
468721-38-2- Standard SMILES
CC(C)(C)OC(=O)n1cc(CCC(=O)O)c2ccccc21- InChIKey
IUINFUFJPVTRQX-UHFFFAOYSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.13140809
Names & identifiers
- Preferred name
- 3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}propanoic acid
- IUPAC
- 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acid
- English name
- 3-(2-CARBOXY-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Molecular formula
- C16H19NO4
- Molecular weight
- 289.33
Names & synonyms
468721-38-23-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}propanoic acid3-(2-CARBOXY-ETHYL)-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER3-(1-(TERT-BUTOXYCARBONYL)-1H-INDOL-3-YL)PROPANOIC ACID3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]propanoic acidMFCD067389613-[1-(tert-Butoxycarbonyl)-1H-indol-3-yl]propanoic acid3-(1-((tert-butoxy)carbonyl)-1H-indol-3-yl)propanoic acidSCHEMBL31126240DTXSID706530271H-Indole-3-propanoic acid, 1-[(1,1-dimethylethoxy)carbonyl]-AKOS015993173
Show more names
3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}propionic acid
AB28270DA-056516P-010E745253-(1-tert-butoxycarbonylindol-3-yl)propanoic acidF8475143-{1-[(t-Butoxy)carbonyl]-1H-indol-3-yl}propanoic acid3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}propanoicacid
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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