ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate

C15H19ClN2O3 — CID 50747158

IUPACethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)10-17-15(20)18-9-3-4-13(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,17,20)
InChIKeyQEESYYFHTLUUGI-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate

ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate (PubChem CID 50747158) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
PubChem CID50747158
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)10-17-15(20)18-9-3-4-13(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,17,20)
InChIKeyQEESYYFHTLUUGI-UHFFFAOYSA-N
XLogP2.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate (CID 50747158) is ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The InChIKey is QEESYYFHTLUUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-21-14(19)10-17-15(20)18-9-3-4-13(18)11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10H2,1H3,(H,17,20).
What are the key properties of ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate has a molecular weight of 310.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 50747158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).