ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride

C8H13ClN2O2 — CID 131699646

IUPACethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(N)n1C.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-3-12-8(11)6-4-5-7(9)10(6)2;/h4-5H,3,9H2,1-2H3;1H
InChIKeyNOTZYXHWRZHETP-UHFFFAOYSA-N
MW204.66 g/mol
LogP1.21
Rot. Bonds2

About ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride

ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride (PubChem CID 131699646) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride
PubChem CID131699646
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Nameethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1ccc(N)n1C.Cl
InChIInChI=1S/C8H12N2O2.ClH/c1-3-12-8(11)6-4-5-7(9)10(6)2;/h4-5H,3,9H2,1-2H3;1H
InChIKeyNOTZYXHWRZHETP-UHFFFAOYSA-N
XLogP1.21
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-cyano-1-methylpyrrole-2-carboxylate
CID 14042113
ethyl 1-methyl-5-(1H-pyrrol-3-yl)pyrrole-2-carboxylate
CID 15358007
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 5-(4-fluoro-2-methylphenyl)-1-methylpyrrole-2-carboxylate
CID 91202281
ethyl 1-methyl-5-[4-(trifluoromethoxy)phenyl]pyrrole-2-carboxylate
CID 129319134
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
CID 11436139
ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate
CID 19374234
ethyl 1-(methylamino)pyrrole-2-carboxylate
CID 90307328
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 1-amino-5-formylpyrrole-2-carboxylate
CID 137367564
ethyl 1-formylpyrrole-2-carboxylate
CID 69374156

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride (CID 131699646) is ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride is CCOC(=O)c1ccc(N)n1C.Cl.
What is the InChIKey of ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride?
The InChIKey is NOTZYXHWRZHETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2.ClH/c1-3-12-8(11)6-4-5-7(9)10(6)2;/h4-5H,3,9H2,1-2H3;1H.
What are the key properties of ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride?
ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-methylpyrrole-2-carboxylate;hydrochloride is sourced from PubChem (CID 131699646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).