ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate

C23H23N3O8 — CID 2301860

IUPACethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
SMILESCCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N1CC(=O)OC)C(C#N)=C(N)Oc1ccccc12
InChIInChI=1S/C23H23N3O8/c1-4-32-17(27)10-15-19(21(29)33-5-2)23(22(30)26(15)12-18(28)31-3)13-8-6-7-9-16(13)34-20(25)14(23)11-24/h6-9H,4-5,10,12,25H2,1-3H3/t23-/m1/s1
InChIKeyAUPLRBBJMHSTLC-HSZRJFAPSA-N
MW469.45 g/mol
LogP0.80
Rot. Bonds7

About ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate

ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate (PubChem CID 2301860) has the molecular formula C23H23N3O8 and a molecular weight of 469.45 g/mol. Its IUPAC name is ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
PubChem CID2301860
Molecular FormulaC23H23N3O8
Molecular Weight469.45 g/mol
Exact Mass469.15
IUPAC Nameethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
SMILESCCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N1CC(=O)OC)C(C#N)=C(N)Oc1ccccc12
InChIInChI=1S/C23H23N3O8/c1-4-32-17(27)10-15-19(21(29)33-5-2)23(22(30)26(15)12-18(28)31-3)13-8-6-7-9-16(13)34-20(25)14(23)11-24/h6-9H,4-5,10,12,25H2,1-3H3/t23-/m1/s1
InChIKeyAUPLRBBJMHSTLC-HSZRJFAPSA-N
XLogP0.80
TPSA158.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate 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

methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 7266564
ethyl 6'-amino-5'-cyano-2'-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
CID 17273129
methyl 2-[(3S)-2'-amino-3'-cyano-7'-methyl-2,5'-dioxospiro[indole-3,4'-pyrano[4,3-b]pyran]-1-yl]acetate
CID 1272609
ethyl (3R)-6'-amino-5'-cyano-1-ethyl-2-oxo-2'-phenylspiro[indole-3,4'-pyran]-3'-carboxylate
CID 7347040
tert-butyl (4S)-2-amino-3-cyano-2'-methyl-5'-oxo-1'-prop-2-ynylspiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 7266613
(4S)-4'-acetyl-2-amino-5'-methyl-2'-oxo-1'-prop-2-enylspiro[chromene-4,3'-pyrrole]-3-carbonitrile
CID 934922
tert-butyl (4S)-2-amino-3-cyano-2'-methyl-5'-oxo-1'-prop-2-enylspiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 7266515
tert-butyl (4R)-2-amino-3-cyano-2'-methyl-5'-oxo-1'-prop-2-enylspiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 7266516
propan-2-yl 2-amino-3-cyano-1',2'-dimethyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 3159133
diethyl (4S)-2'-amino-2-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5-oxospiro[furan-4,4'-quinoline]-3,3'-dicarboxylate
CID 28697831
2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide
CID 7266599
methyl (3R)-6'-amino-1-[(2-chlorophenyl)methyl]-5'-cyano-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
CID 1394756

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate?
The IUPAC name of ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate (CID 2301860) is ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate.
What is the SMILES notation for ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate?
The canonical SMILES for ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate is CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N1CC(=O)OC)C(C#N)=C(N)Oc1ccccc12.
What is the InChIKey of ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate?
The InChIKey is AUPLRBBJMHSTLC-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H23N3O8/c1-4-32-17(27)10-15-19(21(29)33-5-2)23(22(30)26(15)12-18(28)31-3)13-8-6-7-9-16(13)34-20(25)14(23)11-24/h6-9H,4-5,10,12,25H2,1-3H3/t23-/m1/s1.
What are the key properties of ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate?
ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate has a molecular weight of 469.45 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-amino-3-cyano-2'-(2-ethoxy-2-oxoethyl)-1'-(2-methoxy-2-oxoethyl)-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate is sourced from PubChem (CID 2301860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).