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

C20H22N2O7 — CID 7266547

IUPAC3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OCCOC
InChIInChI=1S/C20H22N2O7/c1-4-27-18(24)15-16(21)29-13-8-6-5-7-12(13)20(15)14(11(2)22-19(20)25)17(23)28-10-9-26-3/h5-8H,4,9-10,21H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyTUHILIUOTAALLX-HXUWFJFHSA-N
MW402.40 g/mol
LogP0.64
Rot. Bonds6

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

3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate (PubChem CID 7266547) has the molecular formula C20H22N2O7 and a molecular weight of 402.40 g/mol. Its IUPAC name is 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate.

Molecular Properties

Compound Name3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
PubChem CID7266547
Molecular FormulaC20H22N2O7
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Name3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
SMILESCCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OCCOC
InChIInChI=1S/C20H22N2O7/c1-4-27-18(24)15-16(21)29-13-8-6-5-7-12(13)20(15)14(11(2)22-19(20)25)17(23)28-10-9-26-3/h5-8H,4,9-10,21H2,1-3H3,(H,22,25)/t20-/m1/s1
InChIKeyTUHILIUOTAALLX-HXUWFJFHSA-N
XLogP0.64
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O'-(2-methoxyethyl) 3-O-prop-2-enyl 2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
CID 3159220
3-O-tert-butyl 3-O'-ethyl (4S)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
CID 7266668
dipropan-2-yl 2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate
CID 3159175
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
5-O'-(2-methoxyethyl) 3-O'-propan-2-yl (3S)-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 7046187
5-O'-(2-methoxyethyl) 3-O'-prop-2-enyl 2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 3417705
3-O'-ethyl 5-O'-(2-methoxyethyl) (3S)-2'-amino-5-bromo-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 2030158
2-methoxyethyl (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carboxylate
CID 39352088
3-O'-ethyl 5-O'-(2-methoxyethyl) 2'-amino-1-ethyl-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
CID 17273074
3-O'-(2-methoxyethyl) 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
CID 3832418
ethyl (3S)-2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 6579444
ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 3580763

Frequently Asked Questions

What is the IUPAC name of 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate?
The IUPAC name of 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate (CID 7266547) is 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate.
What is the SMILES notation for 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate?
The canonical SMILES for 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate is CCOC(=O)C1=C(N)Oc2ccccc2[C@]12C(=O)NC(C)=C2C(=O)OCCOC.
What is the InChIKey of 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate?
The InChIKey is TUHILIUOTAALLX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2O7/c1-4-27-18(24)15-16(21)29-13-8-6-5-7-12(13)20(15)14(11(2)22-19(20)25)17(23)28-10-9-26-3/h5-8H,4,9-10,21H2,1-3H3,(H,22,25)/t20-/m1/s1.
What are the key properties of 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate?
3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate has a molecular weight of 402.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O'-ethyl 3-O-(2-methoxyethyl) (4R)-2'-amino-2-methyl-5-oxospiro[1H-pyrrole-4,4'-chromene]-3,3'-dicarboxylate is sourced from PubChem (CID 7266547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).