ethyl 2-(3-aminopyrrol-1-yl)acetate

C8H12N2O2 — CID 133063255

IUPACethyl 2-(3-aminopyrrol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(N)c1
InChIInChI=1S/C8H12N2O2/c1-2-12-8(11)6-10-4-3-7(9)5-10/h3-5H,2,6,9H2,1H3
InChIKeyLWOYKLDFSDZQMA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.63
Rot. Bonds3

About ethyl 2-(3-aminopyrrol-1-yl)acetate

ethyl 2-(3-aminopyrrol-1-yl)acetate (PubChem CID 133063255) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is ethyl 2-(3-aminopyrrol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-aminopyrrol-1-yl)acetate
PubChem CID133063255
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameethyl 2-(3-aminopyrrol-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(N)c1
InChIInChI=1S/C8H12N2O2/c1-2-12-8(11)6-10-4-3-7(9)5-10/h3-5H,2,6,9H2,1H3
InChIKeyLWOYKLDFSDZQMA-UHFFFAOYSA-N
XLogP0.63
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopyrrol-1-yl)acetate?
The IUPAC name of ethyl 2-(3-aminopyrrol-1-yl)acetate (CID 133063255) is ethyl 2-(3-aminopyrrol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-aminopyrrol-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-aminopyrrol-1-yl)acetate is CCOC(=O)Cn1ccc(N)c1.
What is the InChIKey of ethyl 2-(3-aminopyrrol-1-yl)acetate?
The InChIKey is LWOYKLDFSDZQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-12-8(11)6-10-4-3-7(9)5-10/h3-5H,2,6,9H2,1H3.
What are the key properties of ethyl 2-(3-aminopyrrol-1-yl)acetate?
ethyl 2-(3-aminopyrrol-1-yl)acetate has a molecular weight of 168.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopyrrol-1-yl)acetate is sourced from PubChem (CID 133063255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).