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

C8H12N2O2 — CID 90069465

IUPACethyl 1-amino-4-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(C)cn1N
InChIInChI=1S/C8H12N2O2/c1-3-12-8(11)7-4-6(2)5-10(7)9/h4-5H,3,9H2,1-2H3
InChIKeyGHRVVPROQFISPL-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.69
Rot. Bonds2

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

ethyl 1-amino-4-methylpyrrole-2-carboxylate (PubChem CID 90069465) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is ethyl 1-amino-4-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-4-methylpyrrole-2-carboxylate
PubChem CID90069465
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameethyl 1-amino-4-methylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(C)cn1N
InChIInChI=1S/C8H12N2O2/c1-3-12-8(11)7-4-6(2)5-10(7)9/h4-5H,3,9H2,1-2H3
InChIKeyGHRVVPROQFISPL-UHFFFAOYSA-N
XLogP0.69
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-ethyl-4-iodopyrrole-2-carboxylate
CID 68698718
diethyl 1-amino-5-methylpyrrole-2,4-dicarboxylate
CID 167528912
ethane;ethyl 3-aminoimidazole-4-carboxylate
CID 145329621
ethyl 2,4-dimethylpyrrole-1-carboxylate
CID 131861275
ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 45089372
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 4,5-diethyl-1-methylpyrrole-2-carboxylate
CID 19374234
ethyl 4-ethyl-5-methyl-1-prop-2-enylpyrrole-2-carboxylate
CID 18785620
ethyl 2-tert-butylpyrazole-3-carboxylate
CID 56956209
ethyl 1-amino-5-formylpyrrole-2-carboxylate
CID 137367564
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 1-(2,4,6-trimethylphenyl)imidazole-4-carboxylate
CID 114203645

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-4-methylpyrrole-2-carboxylate?
The IUPAC name of ethyl 1-amino-4-methylpyrrole-2-carboxylate (CID 90069465) is ethyl 1-amino-4-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-4-methylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-amino-4-methylpyrrole-2-carboxylate is CCOC(=O)c1cc(C)cn1N.
What is the InChIKey of ethyl 1-amino-4-methylpyrrole-2-carboxylate?
The InChIKey is GHRVVPROQFISPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-8(11)7-4-6(2)5-10(7)9/h4-5H,3,9H2,1-2H3.
What are the key properties of ethyl 1-amino-4-methylpyrrole-2-carboxylate?
ethyl 1-amino-4-methylpyrrole-2-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-4-methylpyrrole-2-carboxylate is sourced from PubChem (CID 90069465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).