ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate

C16H24N2O3 — CID 53008706

IUPACethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)c(CCC(=O)NC2CC2)n(C)c1C
InChIInChI=1S/C16H24N2O3/c1-5-21-16(20)15-10(2)13(18(4)11(15)3)8-9-14(19)17-12-6-7-12/h12H,5-9H2,1-4H3,(H,17,19)
InChIKeyIJTUQTSWOKTIGO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.03
Rot. Bonds6

About ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate

ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate (PubChem CID 53008706) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate
PubChem CID53008706
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)c(CCC(=O)NC2CC2)n(C)c1C
InChIInChI=1S/C16H24N2O3/c1-5-21-16(20)15-10(2)13(18(4)11(15)3)8-9-14(19)17-12-6-7-12/h12H,5-9H2,1-4H3,(H,17,19)
InChIKeyIJTUQTSWOKTIGO-UHFFFAOYSA-N
XLogP2.03
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate (CID 53008706) is ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(C)c(CCC(=O)NC2CC2)n(C)c1C.
What is the InChIKey of ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate?
The InChIKey is IJTUQTSWOKTIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-21-16(20)15-10(2)13(18(4)11(15)3)8-9-14(19)17-12-6-7-12/h12H,5-9H2,1-4H3,(H,17,19).
What are the key properties of ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate?
ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(cyclopropylamino)-3-oxopropyl]-1,2,4-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 53008706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).