ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

C11H18N2O2 — CID 170887754

IUPACethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(CCN)c1C
InChIInChI=1S/C11H18N2O2/c1-4-15-11(14)10-7(2)9(5-6-12)13-8(10)3/h13H,4-6,12H2,1-3H3
InChIKeyVSHIFNDOJYZXQL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.31
Rot. Bonds4

About ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 170887754) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID170887754
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(CCN)c1C
InChIInChI=1S/C11H18N2O2/c1-4-15-11(14)10-7(2)9(5-6-12)13-8(10)3/h13H,4-6,12H2,1-3H3
InChIKeyVSHIFNDOJYZXQL-UHFFFAOYSA-N
XLogP1.31
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-(2-aminopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 170890916
ethyl 2,4-dimethyl-5-[3-(4-methylanilino)-3-oxopropyl]-1H-pyrrole-3-carboxylate
CID 53090607
ethyl 5-[3-(butylamino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 53090612
ethyl 4-iodo-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 11529435
ethyl 5-[(benzylamino)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 53214097
2-O-ethyl 4-O-(2-methoxyethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2554554
ethyl 5-(3-ethoxy-3-oxoprop-1-enyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 169481298
ethyl 2,4-dimethyl-5-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]-1H-pyrrole-3-carboxylate
CID 53090629
ethyl 5-(1-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 165352912
ethyl 5-[3-(2-bromoanilino)-3-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 53090557
ethyl 2-(2-aminoethyl)-4-(4-fluorophenyl)-5-formyl-1H-pyrrole-3-carboxylate
CID 86637682
ethyl 2,4-dimethyl-5-[[methylcarbamoyl-[(4-methylphenyl)methyl]amino]methyl]-1H-pyrrole-3-carboxylate
CID 46295338

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 170887754) is ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(CCN)c1C.
What is the InChIKey of ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is VSHIFNDOJYZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-15-11(14)10-7(2)9(5-6-12)13-8(10)3/h13H,4-6,12H2,1-3H3.
What are the key properties of ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 170887754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).