ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate

C8H12N2O2 — CID 14144333

IUPACethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)[nH]c1N
InChIInChI=1S/C8H12N2O2/c1-3-12-8(11)6-4-5(2)10-7(6)9/h4,10H,3,9H2,1-2H3
InChIKeyCUBCXZWPAGUJPA-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.08
Rot. Bonds2

About ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate

ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate (PubChem CID 14144333) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate
PubChem CID14144333
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(C)[nH]c1N
InChIInChI=1S/C8H12N2O2/c1-3-12-8(11)6-4-5(2)10-7(6)9/h4,10H,3,9H2,1-2H3
InChIKeyCUBCXZWPAGUJPA-UHFFFAOYSA-N
XLogP1.08
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 137482
ethyl 5-amino-1H-pyrrole-2-carboxylate
CID 12066244
Ethyl 5-formyl-2-methyl-1h-pyrrole-3-carboxylate
CID 255661
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 3,5-dimethyl-2-[(4-methylphenyl)hydrazono]-2H-pyrrole-4-carboxylate
CID 732208
ethyl 3,5-dimethyl-2-[(3-methylphenyl)hydrazono]-2H-pyrrole-4-carboxylate
CID 732209
ethyl 3,5-dimethyl-2-(phenylhydrazono)-2H-pyrrole-4-carboxylate
CID 780157
ethyl 2-[2-(2,4-dimethylphenyl)hydrazin-1-ylidene]-3,5-dimethyl-2H-pyrrole-4-carboxylate
CID 1537231
ethyl 5-{[(4-acetamidophenyl)carbamoyl]amino}-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9508099
Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 592729
Ethyl 5-methyl-1H-pyrrole-3-carboxylate
CID 12586753
2,4-Dimethyl-5-[(2-methylphenyl)hydrazinylidene]-3-pyrrolecarboxylic acid ethyl ester
CID 732210

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate (CID 14144333) is ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(C)[nH]c1N.
What is the InChIKey of ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate?
The InChIKey is CUBCXZWPAGUJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-8(11)6-4-5(2)10-7(6)9/h4,10H,3,9H2,1-2H3.
What are the key properties of ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate?
ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-methyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 14144333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).