ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate

C8H12N2O3 — CID 166516946

IUPACethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(OC)c1N
InChIInChI=1S/C8H12N2O3/c1-3-13-8(11)7-6(9)5(12-2)4-10-7/h4,10H,3,9H2,1-2H3
InChIKeyKWDPRBFDLGGPHG-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.78
Rot. Bonds3

About ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate

ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate (PubChem CID 166516946) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate
PubChem CID166516946
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(OC)c1N
InChIInChI=1S/C8H12N2O3/c1-3-13-8(11)7-6(9)5(12-2)4-10-7/h4,10H,3,9H2,1-2H3
InChIKeyKWDPRBFDLGGPHG-UHFFFAOYSA-N
XLogP0.78
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate (CID 166516946) is ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(OC)c1N.
What is the InChIKey of ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate?
The InChIKey is KWDPRBFDLGGPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-13-8(11)7-6(9)5(12-2)4-10-7/h4,10H,3,9H2,1-2H3.
What are the key properties of ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate?
ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 166516946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).