ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate

C19H20N2O4 — CID 25148271

IUPACethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H20N2O4/c1-2-25-17(22)12-20-19(24)14-10-11-21-15(14)8-9-16(21)18(23)13-6-4-3-5-7-13/h3-9,14H,2,10-12H2,1H3,(H,20,24)
InChIKeyQJXWNFWCXJBUEI-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.89
Rot. Bonds6

About ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate

ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate (PubChem CID 25148271) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate
PubChem CID25148271
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Nameethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H20N2O4/c1-2-25-17(22)12-20-19(24)14-10-11-21-15(14)8-9-16(21)18(23)13-6-4-3-5-7-13/h3-9,14H,2,10-12H2,1H3,(H,20,24)
InChIKeyQJXWNFWCXJBUEI-UHFFFAOYSA-N
XLogP1.89
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate (CID 25148271) is ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CCn2c(C(=O)c3ccccc3)ccc21.
What is the InChIKey of ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate?
The InChIKey is QJXWNFWCXJBUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-25-17(22)12-20-19(24)14-10-11-21-15(14)8-9-16(21)18(23)13-6-4-3-5-7-13/h3-9,14H,2,10-12H2,1H3,(H,20,24).
What are the key properties of ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate?
ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate has a molecular weight of 340.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carbonyl)amino]acetate is sourced from PubChem (CID 25148271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).