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

C8H13ClN2O3 — CID 166516945

IUPACethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1[nH]cc(OC)c1N.Cl
InChIInChI=1S/C8H12N2O3.ClH/c1-3-13-8(11)7-6(9)5(12-2)4-10-7;/h4,10H,3,9H2,1-2H3;1H
InChIKeyCBIPWAIUFXZWOH-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.20
Rot. Bonds3

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

ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride (PubChem CID 166516945) has the molecular formula C8H13ClN2O3 and a molecular weight of 220.66 g/mol. Its IUPAC name is ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
PubChem CID166516945
Molecular FormulaC8H13ClN2O3
Molecular Weight220.66 g/mol
Exact Mass220.06
IUPAC Nameethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1[nH]cc(OC)c1N.Cl
InChIInChI=1S/C8H12N2O3.ClH/c1-3-13-8(11)7-6(9)5(12-2)4-10-7;/h4,10H,3,9H2,1-2H3;1H
InChIKeyCBIPWAIUFXZWOH-UHFFFAOYSA-N
XLogP1.20
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.20
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;hydrochloride?
The IUPAC name of ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride (CID 166516945) is ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride is CCOC(=O)c1[nH]cc(OC)c1N.Cl.
What is the InChIKey of ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride?
The InChIKey is CBIPWAIUFXZWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3.ClH/c1-3-13-8(11)7-6(9)5(12-2)4-10-7;/h4,10H,3,9H2,1-2H3;1H.
What are the key properties of ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride?
ethyl 3-amino-4-methoxy-1H-pyrrole-2-carboxylate;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of 1.20, 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;hydrochloride is sourced from PubChem (CID 166516945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).