ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate

C8H12N2O3 — CID 54696576

IUPACethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(O)c(N)cn1C
InChIInChI=1S/C8H12N2O3/c1-3-13-8(12)6-7(11)5(9)4-10(6)2/h4,11H,3,9H2,1-2H3
InChIKeyGYYMJXYRMTYQML-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.49
Rot. Bonds2

About ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate

ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate (PubChem CID 54696576) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate
PubChem CID54696576
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1c(O)c(N)cn1C
InChIInChI=1S/C8H12N2O3/c1-3-13-8(12)6-7(11)5(9)4-10(6)2/h4,11H,3,9H2,1-2H3
InChIKeyGYYMJXYRMTYQML-UHFFFAOYSA-N
XLogP0.49
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-3-ethenyl-1-methylpyrrole-2-carboxylate
CID 146496132
ethyl 4-amino-1,2-dimethylpyrrole-3-carboxylate
CID 69086572
diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 4-amino-1-methylimidazole-2-carboxylate;hydrochloride
CID 22349687
2-(5-ethoxycarbonyl-4-fluoro-1-methylpyrrol-3-yl)-2-oxoacetic acid
CID 121409825
diethyl 1-(4-fluorophenyl)-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 71598928
ethyl 2-methyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[c]pyrrole-1-carboxylate
CID 146309317
ethyl 3-ethenyl-1-methyl-4-sulfamoylpyrrole-2-carboxylate
CID 146607723
diethyl 2-amino-1-methylpyrrole-3,4-dicarboxylate
CID 578820
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 4-amino-2,3-dihydroxybenzoate
CID 174666783
ethyl 3,4-bis(4-methoxyphenyl)-1-methylpyrrole-2-carboxylate
CID 10546793

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate (CID 54696576) is ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate is CCOC(=O)c1c(O)c(N)cn1C.
What is the InChIKey of ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate?
The InChIKey is GYYMJXYRMTYQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-13-8(12)6-7(11)5(9)4-10(6)2/h4,11H,3,9H2,1-2H3.
What are the key properties of ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate?
ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-hydroxy-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 54696576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).