methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate

C10H13NO2S — CID 60795530

IUPACmethyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
SMILESCOC(=O)C(NC1CC1)c1ccsc1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)9(11-8-2-3-8)7-4-5-14-6-7/h4-6,8-9,11H,2-3H2,1H3
InChIKeyAQNAMTQFLIRZCP-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.71
Rot. Bonds4

About methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate

methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate (PubChem CID 60795530) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
PubChem CID60795530
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namemethyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
SMILESCOC(=O)C(NC1CC1)c1ccsc1
InChIInChI=1S/C10H13NO2S/c1-13-10(12)9(11-8-2-3-8)7-4-5-14-6-7/h4-6,8-9,11H,2-3H2,1H3
InChIKeyAQNAMTQFLIRZCP-UHFFFAOYSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
methyl 2-(methylamino)-2-thiophen-3-ylacetate
CID 60787726
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl 2-(2-methylpropylamino)-2-thiophen-3-ylacetate
CID 61002769
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2-(cyclopropylamino)-2-(3,4,5-trimethoxyphenyl)acetate
CID 60797315
methyl 2-(4-butan-2-ylphenyl)-2-(cyclopropylamino)acetate
CID 116857339
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl (2S)-2-bromo-2-thiophen-3-ylacetate
CID 99645005
methyl 2-(cyclopropylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690174
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate (CID 60795530) is methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate is COC(=O)C(NC1CC1)c1ccsc1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate?
The InChIKey is AQNAMTQFLIRZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-13-10(12)9(11-8-2-3-8)7-4-5-14-6-7/h4-6,8-9,11H,2-3H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate?
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate has a molecular weight of 211.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate is sourced from PubChem (CID 60795530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).