methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate

C23H23NO5 — CID 7281577

About methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate

methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate (PubChem CID 7281577) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate
• PubChem CID: 7281577
• Molecular Formula: C23H23NO5
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.16
• IUPAC Name: methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate
• SMILES: COC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21
• InChI: InChI=1S/C23H23NO5/c1-29-21(26)14-24-19-9-5-4-8-18(19)23(28,22(24)27)13-20(25)17-11-10-15-6-2-3-7-16(15)12-17/h4-5,8-12,28H,2-3,6-7,13-14H2,1H3/t23-/m0/s1
• InChIKey: OHGCYWWTNZAJFQ-QHCPKHFHSA-N
• XLogP: 2.55
• TPSA: 83.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate?

The IUPAC name of methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate (CID 7281577) is methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate.

What is the SMILES notation for methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate?

The canonical SMILES for methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate is COC(=O)CN1C(=O)[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21.

What is the InChIKey of methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate?

The InChIKey is OHGCYWWTNZAJFQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23NO5/c1-29-21(26)14-24-19-9-5-4-8-18(19)23(28,22(24)27)13-20(25)17-11-10-15-6-2-3-7-16(15)12-17/h4-5,8-12,28H,2-3,6-7,13-14H2,1H3/t23-/m0/s1.

What are the key properties of methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate?

methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate has a molecular weight of 393.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(3S)-3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-1-yl]acetate is sourced from PubChem (CID 7281577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).