ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate

C13H20N2O3 — CID 105421898

IUPACethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CC(=O)N(C)C(C)C
InChIInChI=1S/C13H20N2O3/c1-5-18-13(17)11-7-6-8-15(11)9-12(16)14(4)10(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeyDCHFLHGCWIHUKU-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.53
Rot. Bonds5

About ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate

ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate (PubChem CID 105421898) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate
PubChem CID105421898
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1CC(=O)N(C)C(C)C
InChIInChI=1S/C13H20N2O3/c1-5-18-13(17)11-7-6-8-15(11)9-12(16)14(4)10(2)3/h6-8,10H,5,9H2,1-4H3
InChIKeyDCHFLHGCWIHUKU-UHFFFAOYSA-N
XLogP1.53
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
ethyl 1-[3-(dimethylamino)propyl]pyrrole-2-carboxylate
CID 105422127
N-methyl-2-(2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 115577760
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
CID 105422054
ethyl 1-[2-(azepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 102604458
ethyl 1-(methylamino)pyrrole-2-carboxylate
CID 90307328
ethyl 1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 102604433
5-(2-ethoxycarbonylpyrrol-1-yl)pentanoic acid
CID 83793284
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
CID 105422074
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
ethyl 1-[[4-(aminomethyl)phenyl]methyl]pyrrole-2-carboxylate
CID 71537103
ethyl 1-[2-(cyclopenten-1-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 126620034

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate (CID 105421898) is ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate is CCOC(=O)c1cccn1CC(=O)N(C)C(C)C.
What is the InChIKey of ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate?
The InChIKey is DCHFLHGCWIHUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-18-13(17)11-7-6-8-15(11)9-12(16)14(4)10(2)3/h6-8,10H,5,9H2,1-4H3.
What are the key properties of ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate?
ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate has a molecular weight of 252.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylate is sourced from PubChem (CID 105421898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).