[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C17H17NO6 — CID 2365788

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC3CC3)ccc12
InChIInChI=1S/C17H17NO6/c1-10-6-16(20)24-14-7-12(4-5-13(10)14)22-9-17(21)23-8-15(19)18-11-2-3-11/h4-7,11H,2-3,8-9H2,1H3,(H,18,19)
InChIKeySTYWBPZXVZYZGE-UHFFFAOYSA-N
MW331.32 g/mol
LogP1.30
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 2365788) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID2365788
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC3CC3)ccc12
InChIInChI=1S/C17H17NO6/c1-10-6-16(20)24-14-7-12(4-5-13(10)14)22-9-17(21)23-8-15(19)18-11-2-3-11/h4-7,11H,2-3,8-9H2,1H3,(H,18,19)
InChIKeySTYWBPZXVZYZGE-UHFFFAOYSA-N
XLogP1.30
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 2365788) is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC3CC3)ccc12.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is STYWBPZXVZYZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-10-6-16(20)24-14-7-12(4-5-13(10)14)22-9-17(21)23-8-15(19)18-11-2-3-11/h4-7,11H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 331.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 2365788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).