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

C12H17NO2S — CID 43725040

IUPACmethyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NCC1CC1)c1cccs1
InChIInChI=1S/C12H17NO2S/c1-15-12(14)7-10(11-3-2-6-16-11)13-8-9-4-5-9/h2-3,6,9-10,13H,4-5,7-8H2,1H3
InChIKeyLUZOOTNORCNWTR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.35
Rot. Bonds6

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

methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate (PubChem CID 43725040) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
PubChem CID43725040
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Namemethyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NCC1CC1)c1cccs1
InChIInChI=1S/C12H17NO2S/c1-15-12(14)7-10(11-3-2-6-16-11)13-8-9-4-5-9/h2-3,6,9-10,13H,4-5,7-8H2,1H3
InChIKeyLUZOOTNORCNWTR-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 62657315
methyl 3-(cyclopropylamino)-3-thiophen-2-ylpropanoate
CID 103439049
methyl 3-(1-cyclopropylpropan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 113489791
4-[(1-thiophen-2-ylpropylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532736
methyl 3-[(2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724977
methyl (3S)-3-(cyclohexylmethylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 95733855
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66009978
methyl 3-(pyrrolidin-3-ylamino)-3-thiophen-2-ylpropanoate
CID 79730826
methyl 3-(piperidine-4-carbonylamino)-3-thiophen-2-ylpropanoate
CID 43709862
methyl 3-[(2-methoxyphenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724941
methyl 3-[(2-bromophenyl)methylamino]-3-thiophen-2-ylpropanoate
CID 43724993
methyl 3-[(3-propan-2-ylcyclohexyl)amino]-3-thiophen-2-ylpropanoate
CID 107448173

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate (CID 43725040) is methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate is COC(=O)CC(NCC1CC1)c1cccs1.
What is the InChIKey of methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate?
The InChIKey is LUZOOTNORCNWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-15-12(14)7-10(11-3-2-6-16-11)13-8-9-4-5-9/h2-3,6,9-10,13H,4-5,7-8H2,1H3.
What are the key properties of methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate?
methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate has a molecular weight of 239.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylmethylamino)-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 43725040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).