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

C19H17N3O6 — CID 7266564

IUPACmethyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
SMILESCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C
InChIInChI=1S/C19H17N3O6/c1-10-15(17(24)27-3)19(18(25)22(10)9-14(23)26-2)11-6-4-5-7-13(11)28-16(21)12(19)8-20/h4-7H,9,21H2,1-3H3/t19-/m1/s1
InChIKeyAWPCFKYTMODGON-LJQANCHMSA-N
MW383.36 g/mol
LogP0.47
Rot. Bonds3

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

methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate (PubChem CID 7266564) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
PubChem CID7266564
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Namemethyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
SMILESCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C
InChIInChI=1S/C19H17N3O6/c1-10-15(17(24)27-3)19(18(25)22(10)9-14(23)26-2)11-6-4-5-7-13(11)28-16(21)12(19)8-20/h4-7H,9,21H2,1-3H3/t19-/m1/s1
InChIKeyAWPCFKYTMODGON-LJQANCHMSA-N
XLogP0.47
TPSA131.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
tert-butyl (4S)-2-amino-3-cyano-2'-methyl-5'-oxo-1'-prop-2-ynylspiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 7266613
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
(4S)-4'-acetyl-2-amino-5'-methyl-2'-oxo-1'-prop-2-enylspiro[chromene-4,3'-pyrrole]-3-carbonitrile
CID 934922
propan-2-yl 2-amino-3-cyano-1',2'-dimethyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
CID 3159133
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
methyl (3R)-6'-amino-1-[(2-chlorophenyl)methyl]-5'-cyano-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
CID 1394756
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-[6-amino-5-cyano-3-(4-methylphenyl)-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl]acetate
CID 3649430
2-[(3S)-2'-amino-3'-cyano-6,6-dimethyl-2,4-dioxospiro[5,7-dihydroindole-3,4'-chromene]-1-yl]acetamide
CID 7266599
methyl 6'-amino-5-bromo-5'-cyano-2'-(2-methoxy-2-oxoethyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
CID 17273117

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate?
The IUPAC name of methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate (CID 7266564) is methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate.
What is the SMILES notation for methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate?
The canonical SMILES for methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate is COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1C.
What is the InChIKey of methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate?
The InChIKey is AWPCFKYTMODGON-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-10-15(17(24)27-3)19(18(25)22(10)9-14(23)26-2)11-6-4-5-7-13(11)28-16(21)12(19)8-20/h4-7H,9,21H2,1-3H3/t19-/m1/s1.
What are the key properties of methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate?
methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate has a molecular weight of 383.36 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate is sourced from PubChem (CID 7266564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).