ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate

C26H46N2O7 — CID 66591917

IUPACethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCC[C@]2(COC)OC)CC1
InChIInChI=1S/C26H46N2O7/c1-7-33-22(29)20-11-13-21(14-12-20)34-26(27-16-8-9-17-27,23(30)35-24(2,3)4)28-18-10-15-25(28,32-6)19-31-5/h20-21H,7-19H2,1-6H3/t20?,21?,25-,26?/m1/s1
InChIKeyQREDVXRSQCIYEE-JUAHTYNRSA-N
MW498.66 g/mol
LogP3.30
Rot. Bonds10

About ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate

ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate (PubChem CID 66591917) has the molecular formula C26H46N2O7 and a molecular weight of 498.66 g/mol. Its IUPAC name is ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate
PubChem CID66591917
Molecular FormulaC26H46N2O7
Molecular Weight498.66 g/mol
Exact Mass498.33
IUPAC Nameethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCC[C@]2(COC)OC)CC1
InChIInChI=1S/C26H46N2O7/c1-7-33-22(29)20-11-13-21(14-12-20)34-26(27-16-8-9-17-27,23(30)35-24(2,3)4)28-18-10-15-25(28,32-6)19-31-5/h20-21H,7-19H2,1-6H3/t20?,21?,25-,26?/m1/s1
InChIKeyQREDVXRSQCIYEE-JUAHTYNRSA-N
XLogP3.30
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.66
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate (CID 66591917) is ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(OC(C(=O)OC(C)(C)C)(N2CCCC2)N2CCC[C@]2(COC)OC)CC1.
What is the InChIKey of ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate?
The InChIKey is QREDVXRSQCIYEE-JUAHTYNRSA-N. The full InChI is InChI=1S/C26H46N2O7/c1-7-33-22(29)20-11-13-21(14-12-20)34-26(27-16-8-9-17-27,23(30)35-24(2,3)4)28-18-10-15-25(28,32-6)19-31-5/h20-21H,7-19H2,1-6H3/t20?,21?,25-,26?/m1/s1.
What are the key properties of ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate?
ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate has a molecular weight of 498.66 g/mol, XLogP of 3.30, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[(2R)-2-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-1-ylethoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 66591917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).