(2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C17H19NO6 — CID 657684

IUPAC(2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H19NO6/c1-10(18-16(21)24-17(2,3)4)15(20)22-12-7-5-11-6-8-14(19)23-13(11)9-12/h5-10H,1-4H3,(H,18,21)
InChIKeyFZUOSNNASUJLMW-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.61
Rot. Bonds3

About (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 657684) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Name(2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID657684
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name(2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H19NO6/c1-10(18-16(21)24-17(2,3)4)15(20)22-12-7-5-11-6-8-14(19)23-13(11)9-12/h5-10H,1-4H3,(H,18,21)
InChIKeyFZUOSNNASUJLMW-UHFFFAOYSA-N
XLogP2.61
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 657684) is (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(NC(=O)OC(C)(C)C)C(=O)Oc1ccc2ccc(=O)oc2c1.
What is the InChIKey of (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is FZUOSNNASUJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-10(18-16(21)24-17(2,3)4)15(20)22-12-7-5-11-6-8-14(19)23-13(11)9-12/h5-10H,1-4H3,(H,18,21).
What are the key properties of (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
(2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 333.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 657684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).