Basic information
- CAS
92256-33-2- Standard SMILES
O=C(O)CCC(=O)NCCc1c[nH]c2ccccc12- InChIKey
FMXUSNAWMLGDCZ-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609237
Names & identifiers
- Preferred name
- 3-{[2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid
- IUPAC
- 4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acid
Names & synonyms
92256-33-23-{[2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid4-((2-(1H-Indol-3-yl)ethyl)amino)-4-oxobutanoic acid4-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoic acidN-[2-(3-indolyl)ethyl]succinamic acid4-[[2-(1H-Indol-3-yl)ethyl]amino]-4-oxobutanoic Acid4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoic acidSCHEMBL918964SCHEMBL918966orb3170523DTXSID80383969FMXUSNAWMLGDCZ-UHFFFAOYSA-N
Show more names
AKOS005105879JS-1307N-[2-(3-indolyl)ethyl] succinamic acidST0192003-[N-(2-indol-3-ylethyl)carbamoyl]propanoic acidAS-871/42611565T1278214-((2-(1H-Indol-3-yl)ethyl)amino)-4-oxobutanoicacid
Database identifiers
- CAS
92256-33-2- PubChem CID
- 2797984
- DTXSID
DTXSID80383969- Nikkaji
- J1.533.698F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
1 records
Compound notes
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