ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate

C20H28N2O4 — CID 86842837

IUPACethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCCC1c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C20H28N2O4/c1-3-26-20(24)14-21(16-8-9-16)13-19(23)22-12-4-5-18(22)15-6-10-17(25-2)11-7-15/h6-7,10-11,16,18H,3-5,8-9,12-14H2,1-2H3
InChIKeyHBSAZLBSWNMROS-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.39
Rot. Bonds8

About ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate

ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate (PubChem CID 86842837) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate
PubChem CID86842837
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nameethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(CC(=O)N1CCCC1c1ccc(OC)cc1)C1CC1
InChIInChI=1S/C20H28N2O4/c1-3-26-20(24)14-21(16-8-9-16)13-19(23)22-12-4-5-18(22)15-6-10-17(25-2)11-7-15/h6-7,10-11,16,18H,3-5,8-9,12-14H2,1-2H3
InChIKeyHBSAZLBSWNMROS-UHFFFAOYSA-N
XLogP2.39
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate (CID 86842837) is ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate is CCOC(=O)CN(CC(=O)N1CCCC1c1ccc(OC)cc1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate?
The InChIKey is HBSAZLBSWNMROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-3-26-20(24)14-21(16-8-9-16)13-19(23)22-12-4-5-18(22)15-6-10-17(25-2)11-7-15/h6-7,10-11,16,18H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate has a molecular weight of 360.45 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 86842837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).