[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate

C22H22N2O4 — CID 30442448

About [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate

[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate (PubChem CID 30442448) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

• Compound Name: [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
• PubChem CID: 30442448
• Molecular Formula: C22H22N2O4
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.16
• IUPAC Name: [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
• SMILES: C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCOc2ccccc21
• InChI: InChI=1S/C22H22N2O4/c1-14(22(26)24-19-10-11-27-20-9-5-3-7-17(19)20)28-21(25)12-15-13-23-18-8-4-2-6-16(15)18/h2-9,13-14,19,23H,10-12H2,1H3,(H,24,26)/t14-,19-/m0/s1
• InChIKey: AYNAULYBRWASHC-LIRRHRJNSA-N
• XLogP: 3.28
• TPSA: 80.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?

The IUPAC name of [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate (CID 30442448) is [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate.

What is the SMILES notation for [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?

The canonical SMILES for [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate is C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCOc2ccccc21.

What is the InChIKey of [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?

The InChIKey is AYNAULYBRWASHC-LIRRHRJNSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14(22(26)24-19-10-11-27-20-9-5-3-7-17(19)20)28-21(25)12-15-13-23-18-8-4-2-6-16(15)18/h2-9,13-14,19,23H,10-12H2,1H3,(H,24,26)/t14-,19-/m0/s1.

What are the key properties of [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?

[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate has a molecular weight of 378.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 30442448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).