ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate

C11H16N2O3 — CID 90500544

IUPACethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate
SMILESCCOC(=O)C(=O)NCCCn1cccc1
InChIInChI=1S/C11H16N2O3/c1-2-16-11(15)10(14)12-6-5-9-13-7-3-4-8-13/h3-4,7-8H,2,5-6,9H2,1H3,(H,12,14)
InChIKeyFNFZQVQOPDYJRR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.56
Rot. Bonds5

About ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate

ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate (PubChem CID 90500544) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate
PubChem CID90500544
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate
SMILESCCOC(=O)C(=O)NCCCn1cccc1
InChIInChI=1S/C11H16N2O3/c1-2-16-11(15)10(14)12-6-5-9-13-7-3-4-8-13/h3-4,7-8H,2,5-6,9H2,1H3,(H,12,14)
InChIKeyFNFZQVQOPDYJRR-UHFFFAOYSA-N
XLogP0.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
CID 61408291
1-butyl-3-(2-pyrrol-1-ylethyl)urea
CID 103740925
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
CID 3412732
methyl 4-(3-pyrrol-1-ylpropylcarbamoyl)benzoate
CID 90500522
2-(2-methylphenyl)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 110721082
diethyl 2-(2-pyrrol-1-ylethyl)propanedioate
CID 10848480
1-(3-ethoxypropyl)-3-(2-pyrrol-1-ylethyl)thiourea
CID 106390691
ethyl 2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoacetate
CID 63330652
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
CID 80689128
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate (CID 90500544) is ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate is CCOC(=O)C(=O)NCCCn1cccc1.
What is the InChIKey of ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate?
The InChIKey is FNFZQVQOPDYJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-16-11(15)10(14)12-6-5-9-13-7-3-4-8-13/h3-4,7-8H,2,5-6,9H2,1H3,(H,12,14).
What are the key properties of ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate?
ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate is sourced from PubChem (CID 90500544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).