methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate

C14H21NO2S — CID 113489791

IUPACmethyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(C)CC1CC1)c1cccs1
InChIInChI=1S/C14H21NO2S/c1-10(8-11-5-6-11)15-12(9-14(16)17-2)13-4-3-7-18-13/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3
InChIKeyOOCQDYOOALYLFI-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.13
Rot. Bonds7

About methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate

methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate (PubChem CID 113489791) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
PubChem CID113489791
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Namemethyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(C)CC1CC1)c1cccs1
InChIInChI=1S/C14H21NO2S/c1-10(8-11-5-6-11)15-12(9-14(16)17-2)13-4-3-7-18-13/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3
InChIKeyOOCQDYOOALYLFI-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
CID 43725040
methyl 3-(1-methylsulfonylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 64630549
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 43724906
1-cyclopropyl-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 104866462
methyl 3-[(3-propan-2-ylcyclohexyl)amino]-3-thiophen-2-ylpropanoate
CID 107448173
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
methyl 3-[1-(2-hydroxyphenyl)ethylamino]-3-thiophen-2-ylpropanoate
CID 43725033
methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 62657315
methyl 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-thiophen-2-ylpropanoate
CID 43787007
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66009978

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate (CID 113489791) is methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(C)CC1CC1)c1cccs1.
What is the InChIKey of methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate?
The InChIKey is OOCQDYOOALYLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10(8-11-5-6-11)15-12(9-14(16)17-2)13-4-3-7-18-13/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate?
methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate has a molecular weight of 267.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 113489791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).