ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate

C27H36N2O5 — CID 10671987

IUPACethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCCCN(C)C(=O)CN1C[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C27H36N2O5/c1-6-16-28(3)24(30)18-29-17-23(19-8-12-21(32-4)13-9-19)25(27(31)34-7-2)26(29)20-10-14-22(33-5)15-11-20/h8-15,23,25-26H,6-7,16-18H2,1-5H3/t23-,25-,26+/m1/s1
InChIKeyGSDAZBMTUBEDCI-ARMFNRFLSA-N
MW468.59 g/mol
LogP3.89
Rot. Bonds10

About ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate

ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate (PubChem CID 10671987) has the molecular formula C27H36N2O5 and a molecular weight of 468.59 g/mol. Its IUPAC name is ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
PubChem CID10671987
Molecular FormulaC27H36N2O5
Molecular Weight468.59 g/mol
Exact Mass468.26
IUPAC Nameethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate
SMILESCCCN(C)C(=O)CN1C[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C27H36N2O5/c1-6-16-28(3)24(30)18-29-17-23(19-8-12-21(32-4)13-9-19)25(27(31)34-7-2)26(29)20-10-14-22(33-5)15-11-20/h8-15,23,25-26H,6-7,16-18H2,1-5H3/t23-,25-,26+/m1/s1
InChIKeyGSDAZBMTUBEDCI-ARMFNRFLSA-N
XLogP3.89
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4R)-2-(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 102061884
ethyl 4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate;propane
CID 142120457
ethyl (2S,3S)-4-(1,3-benzodioxol-5-yl)-1-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 69423009
ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2,6-diethyl-N-methylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 10603185
ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(N-butylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 10698066
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(pentyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 10184472
ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-3-carboxylate
CID 10766633
ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(cyclopentylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 10815062
ethyl (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-propylsulfanylethyl)pyrrolidine-3-carboxylate
CID 10648093
4-(1,3-benzodioxol-5-yl)-1-[2-(dipropylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 22322792
ethyl (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 10744783
ethyl (2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(2-ethylsulfanylethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 10790031

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate?
The IUPAC name of ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate (CID 10671987) is ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate is CCCN(C)C(=O)CN1C[C@H](c2ccc(OC)cc2)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate?
The InChIKey is GSDAZBMTUBEDCI-ARMFNRFLSA-N. The full InChI is InChI=1S/C27H36N2O5/c1-6-16-28(3)24(30)18-29-17-23(19-8-12-21(32-4)13-9-19)25(27(31)34-7-2)26(29)20-10-14-22(33-5)15-11-20/h8-15,23,25-26H,6-7,16-18H2,1-5H3/t23-,25-,26+/m1/s1.
What are the key properties of ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate?
ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate has a molecular weight of 468.59 g/mol, XLogP of 3.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4S)-2,4-bis(4-methoxyphenyl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 10671987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).