Basic information
- CAS
67010-09-7- Standard SMILES
COc1ccc2[nH]cc(CC(NC(C)=O)C(=O)O)c2c1- InChIKey
IJODSTPSSWJSBC-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.11100699
Names & identifiers
- Preferred name
- 2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid
- IUPAC
- 2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid
- English name
- n-acetyl-5-Methoxy-l-tryptophan
- Molecular formula
- C14H16N2O4
- Molecular weight
- 276.29
Names & synonyms
2-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acidNSC346590Nalpha-acetyl-5-methoxy-D-tryptophanNa-acetyl-5-methoxy-D-tryptophanSCHEMBL19766756DTXSID20319540MFCD09756733NSC-346590SY308796DS-012875EN300-187130172-acetamido-3-(5-methoxy-1H-indol-3-yl)propanoicacid
Show more names
Ac-L-5-methoxytryptophanN-acetyl-5-methoxytryptophann-acetyl-5-Methoxy-l-tryptophanL-Tryptophan, N-acetyl-5-methoxy-(S)-2-Acetamido-3-(5-methoxy-1H-indol-3-yl)propanoic acid
Database identifiers
- CAS
67010-09-7- PubChem CID
- 335748
- DTXSID
DTXSID20319540- Nikkaji
- J1.256.425B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Melting point
- 176 °C · 176 °C
- Boiling point
- 608.817 · 608.817±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.523 · 3.523±0.10(predicted)
Chemistry & industry
Suppliers8 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
陕西伊坤特医药科技有限公司18049260030 18049260030 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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