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

C15H19ClN2O3 — CID 50746901

IUPACethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)10-17-15(20)18-9-5-8-13(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,17,20)
InChIKeyXGGRWRZMIWSZOL-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.75
Rot. Bonds4

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

ethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate (PubChem CID 50746901) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
PubChem CID50746901
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCC1c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c1-2-21-14(19)10-17-15(20)18-9-5-8-13(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,17,20)
InChIKeyXGGRWRZMIWSZOL-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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate (CID 50746901) is ethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCC1c1ccccc1Cl.
What is the InChIKey of ethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The InChIKey is XGGRWRZMIWSZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-21-14(19)10-17-15(20)18-9-5-8-13(18)11-6-3-4-7-12(11)16/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,17,20).
What are the key properties of ethyl 2-[[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
ethyl 2-[[2-(2-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-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 50746901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).