ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate

C13H18N2O3S — CID 55005656

IUPACethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)10-5-4-6-15(10)12(16)11-7-9(14)8(2)19-11/h7,10H,3-6,14H2,1-2H3
InChIKeyBRNLPIMCKHTCIA-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.81
Rot. Bonds3

About ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate

ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 55005656) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID55005656
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C13H18N2O3S/c1-3-18-13(17)10-5-4-6-15(10)12(16)11-7-9(14)8(2)19-11/h7,10H,3-6,14H2,1-2H3
InChIKeyBRNLPIMCKHTCIA-UHFFFAOYSA-N
XLogP1.81
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-amino-5-methylthiophene-2-carbonyl)thiomorpholine-3-carboxylate
CID 61113750
(4-amino-5-methylthiophen-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 61102350
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 61116998
ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
CID 78991939
ethyl 1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 79693514
methyl 1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidine-2-carboxylate
CID 51112610
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
tert-butyl (2R)-1-(4,5-dimethylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 80999187
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
CID 79461401
methyl 2-[1-(4-amino-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetate
CID 61138762
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate (CID 55005656) is ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1C(=O)c1cc(N)c(C)s1.
What is the InChIKey of ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is BRNLPIMCKHTCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-18-13(17)10-5-4-6-15(10)12(16)11-7-9(14)8(2)19-11/h7,10H,3-6,14H2,1-2H3.
What are the key properties of ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate?
ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-amino-5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55005656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).