ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate

C23H24N2O7 — CID 1418012

IUPACethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
SMILESCCOC(=O)CN1C(=O)[C@]2(C(C(=O)OCC)=C(N)OC3=C2C(=O)CCC3)c2ccccc21
InChIInChI=1S/C23H24N2O7/c1-3-30-17(27)12-25-14-9-6-5-8-13(14)23(22(25)29)18-15(26)10-7-11-16(18)32-20(24)19(23)21(28)31-4-2/h5-6,8-9H,3-4,7,10-12,24H2,1-2H3/t23-/m1/s1
InChIKeyJAXCIMKSQQPRMG-HSZRJFAPSA-N
MW440.45 g/mol
LogP1.60
Rot. Bonds5

About ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate

ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate (PubChem CID 1418012) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
PubChem CID1418012
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Nameethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
SMILESCCOC(=O)CN1C(=O)[C@]2(C(C(=O)OCC)=C(N)OC3=C2C(=O)CCC3)c2ccccc21
InChIInChI=1S/C23H24N2O7/c1-3-30-17(27)12-25-14-9-6-5-8-13(14)23(22(25)29)18-15(26)10-7-11-16(18)32-20(24)19(23)21(28)31-4-2/h5-6,8-9H,3-4,7,10-12,24H2,1-2H3/t23-/m1/s1
InChIKeyJAXCIMKSQQPRMG-HSZRJFAPSA-N
XLogP1.60
TPSA125.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate?
The IUPAC name of ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate (CID 1418012) is ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate.
What is the SMILES notation for ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate?
The canonical SMILES for ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate is CCOC(=O)CN1C(=O)[C@]2(C(C(=O)OCC)=C(N)OC3=C2C(=O)CCC3)c2ccccc21.
What is the InChIKey of ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate?
The InChIKey is JAXCIMKSQQPRMG-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-3-30-17(27)12-25-14-9-6-5-8-13(14)23(22(25)29)18-15(26)10-7-11-16(18)32-20(24)19(23)21(28)31-4-2/h5-6,8-9H,3-4,7,10-12,24H2,1-2H3/t23-/m1/s1.
What are the key properties of ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate?
ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate has a molecular weight of 440.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate is sourced from PubChem (CID 1418012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).