methyl 2-amino-4-cyclopropylthiophene-3-carboxylate

C9H11NO2S — CID 5325006

IUPACmethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CC2)csc1N
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-6(5-2-3-5)4-13-8(7)10/h4-5H,2-3,10H2,1H3
InChIKeyDZTOLHKNXMQGPM-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.99
Rot. Bonds2

About methyl 2-amino-4-cyclopropylthiophene-3-carboxylate

methyl 2-amino-4-cyclopropylthiophene-3-carboxylate (PubChem CID 5325006) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is methyl 2-amino-4-cyclopropylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
PubChem CID5325006
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Namemethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
SMILESCOC(=O)c1c(C2CC2)csc1N
InChIInChI=1S/C9H11NO2S/c1-12-9(11)7-6(5-2-3-5)4-13-8(7)10/h4-5H,2-3,10H2,1H3
InChIKeyDZTOLHKNXMQGPM-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-amino-4-phenylthiophene-3-carboxylate
CID 685886
Ethyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
CID 3761339
Ethyl 2-amino-5-ethyl-3-thenoate
CID 78263
ethyl 2-amino-4H,5H,6H-thieno[2,3-b]thiopyran-3-carboxylate
CID 2451365
Ethyl 2-amino-4,5-dimethyl3-thenoate
CID 78536
Methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate
CID 638858
Ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
CID 673140
Ethyl 4-cyclopropyl-2-acetamidothiophene-3-carboxylate
CID 704424
Ethyl 2-amino-4-thiophen-3-ylthiophene-3-carboxylate
CID 645868
Methyl 5-acetyl-2-amino-4-methylthiophene-3-carboxylate
CID 961131
Methyl 2-amino-5-(3-methylbutylsulfanylmethyl)thiophene-3-carboxylate
CID 72705185
2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester
CID 737094

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-cyclopropylthiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-cyclopropylthiophene-3-carboxylate (CID 5325006) is methyl 2-amino-4-cyclopropylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-cyclopropylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-cyclopropylthiophene-3-carboxylate is COC(=O)c1c(C2CC2)csc1N.
What is the InChIKey of methyl 2-amino-4-cyclopropylthiophene-3-carboxylate?
The InChIKey is DZTOLHKNXMQGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-12-9(11)7-6(5-2-3-5)4-13-8(7)10/h4-5H,2-3,10H2,1H3.
What are the key properties of methyl 2-amino-4-cyclopropylthiophene-3-carboxylate?
methyl 2-amino-4-cyclopropylthiophene-3-carboxylate has a molecular weight of 197.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-cyclopropylthiophene-3-carboxylate is sourced from PubChem (CID 5325006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).