[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C₂₀H₂₃NO₆ — CID 2445277

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 2445277) has the molecular formula C₂₀H₂₃NO₆ and a molecular weight of 373.41 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

• Compound Name: [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
• PubChem CID: 2445277
• Molecular Formula: C₂₀H₂₃NO₆
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.15
• IUPAC Name: [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
• SMILES: Cc1cc(=O)oc2cc(OCC(=O)O[C@@H](C)C(=O)NC3CCCC3)ccc12
• InChI: InChI=1S/C20H23NO6/c1-12-9-18(22)27-17-10-15(7-8-16(12)17)25-11-19(23)26-13(2)20(24)21-14-5-3-4-6-14/h7-10,13-14H,3-6,11H2,1-2H3,(H,21,24)/t13-/m0/s1
• InChIKey: UTCRHRWZGOWGJF-ZDUSSCGKSA-N
• XLogP: 2.47
• TPSA: 94.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?

The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 2445277) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?

The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1cc(=O)oc2cc(OCC(=O)O[C@@H](C)C(=O)NC3CCCC3)ccc12.

What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?

The InChIKey is UTCRHRWZGOWGJF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23NO6/c1-12-9-18(22)27-17-10-15(7-8-16(12)17)25-11-19(23)26-13(2)20(24)21-14-5-3-4-6-14/h7-10,13-14H,3-6,11H2,1-2H3,(H,21,24)/t13-/m0/s1.

What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 373.41 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 2445277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2445277 — identifiers, structure, computed properties (public domain)

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