1H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, methyl ester
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Basic information
- CAS
256407-56-4- Standard SMILES
COC(=O)CC1c2[nH]c3ccccc3c2CCN1C(=O)OC(C)(C)C- InChIKey
WHWBEUASJDBREX-UHFFFAOYSA-N- Molecular formula
- C19H24N2O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.17360725
Names & identifiers
- Preferred name
- 1H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, methyl ester
- IUPAC
- tert-butyl 1-(2-methoxy-2-oxoethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
- English name
- 1H-PYRIDO[3,4-B]INDOLE-1-ACETIC ACID, 2-[(1,1-DIMETHYLETHOXY)CARBONYL]-2,3,4,9-TETRAHYDRO-, METHYL ESTER
- Molecular formula
- C19H24N2O4
- Molecular weight
- 344.4
Names & synonyms
256407-56-41H-Pyrido[3,4-b]indole-1-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-2,3,4,9-tetrahydro-, methyl esterDTXSID10454055AKOS015962512AC-17178tert-Butyl 1-(2-methoxy-2-oxoethyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carboxylate
Database identifiers
- CAS
256407-56-4- PubChem CID
- 11067916
- DTXSID
DTXSID10454055
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
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Compound notes
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