3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate

C19H20N2O6 — CID 7266685

IUPAC3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
SMILESCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OC(C)C
InChIInChI=1S/C19H20N2O6/c1-9(2)26-17(23)13-10(3)21-18(24)19(13)11-7-5-6-8-12(11)27-15(20)14(19)16(22)25-4/h5-9H,20H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyVVXWYQWDIVBZIS-LJQANCHMSA-N
MW372.38 g/mol
LogP1.02
Rot. Bonds3

About 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate

3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate (PubChem CID 7266685) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate.

Molecular Properties

Compound Name3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
PubChem CID7266685
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
SMILESCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OC(C)C
InChIInChI=1S/C19H20N2O6/c1-9(2)26-17(23)13-10(3)21-18(24)19(13)11-7-5-6-8-12(11)27-15(20)14(19)16(22)25-4/h5-9H,20H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyVVXWYQWDIVBZIS-LJQANCHMSA-N
XLogP1.02
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate?
The IUPAC name of 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate (CID 7266685) is 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate.
What is the SMILES notation for 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate?
The canonical SMILES for 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate is COC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OC(C)C.
What is the InChIKey of 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate?
The InChIKey is VVXWYQWDIVBZIS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-9(2)26-17(23)13-10(3)21-18(24)19(13)11-7-5-6-8-12(11)27-15(20)14(19)16(22)25-4/h5-9H,20H2,1-4H3,(H,21,24)/t19-/m1/s1.
What are the key properties of 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate?
3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate has a molecular weight of 372.38 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O'-methyl 3-O-propan-2-yl (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate is sourced from PubChem (CID 7266685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).