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

C11H15NO2S — CID 103439049

IUPACmethyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC1CC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-14-11(13)7-9(12-8-4-5-8)10-3-2-6-15-10/h2-3,6,8-9,12H,4-5,7H2,1H3
InChIKeyYOQOBGFNIYHTNJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.10
Rot. Bonds5

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

methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate (PubChem CID 103439049) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
PubChem CID103439049
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Namemethyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC1CC1)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-14-11(13)7-9(12-8-4-5-8)10-3-2-6-15-10/h2-3,6,8-9,12H,4-5,7H2,1H3
InChIKeyYOQOBGFNIYHTNJ-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(pyrrolidin-3-ylamino)-3-thiophen-2-ylpropanoate
CID 79730826
methyl 3-[(3-propan-2-ylcyclohexyl)amino]-3-thiophen-2-ylpropanoate
CID 107448173
methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 113489791
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644
methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 43724906
methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 62657315
methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
methyl 3-(benzenesulfonamido)-3-thiophen-2-ylpropanoate
CID 60715441
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66009978
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate (CID 103439049) is methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate is COC(=O)CC(NC1CC1)c1cccs1.
What is the InChIKey of methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate?
The InChIKey is YOQOBGFNIYHTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-14-11(13)7-9(12-8-4-5-8)10-3-2-6-15-10/h2-3,6,8-9,12H,4-5,7H2,1H3.
What are the key properties of methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate?
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate has a molecular weight of 225.31 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 103439049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).