methyl 3-(1-thiophen-2-ylpropylamino)propanoate

C11H17NO2S — CID 43139675

IUPACmethyl 3-(1-thiophen-2-ylpropylamino)propanoate
SMILESCCC(NCCC(=O)OC)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-3-9(10-5-4-8-15-10)12-7-6-11(13)14-2/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyANOHKMCAIBJZDT-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.35
Rot. Bonds6

About methyl 3-(1-thiophen-2-ylpropylamino)propanoate

methyl 3-(1-thiophen-2-ylpropylamino)propanoate (PubChem CID 43139675) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is methyl 3-(1-thiophen-2-ylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-thiophen-2-ylpropylamino)propanoate
PubChem CID43139675
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Namemethyl 3-(1-thiophen-2-ylpropylamino)propanoate
SMILESCCC(NCCC(=O)OC)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-3-9(10-5-4-8-15-10)12-7-6-11(13)14-2/h4-5,8-9,12H,3,6-7H2,1-2H3
InChIKeyANOHKMCAIBJZDT-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-thiophen-2-ylbutylamino)butanoate
CID 54962891
N-(2-methoxyethyl)-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964517
methyl 3-(3-ethylsulfanylpropylamino)-3-thiophen-2-ylpropanoate
CID 116503781
methyl 4-(1-thiophen-2-ylethylamino)butanoate
CID 43534511
N-[2-(4-methoxyphenyl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43093641
methyl 3-(3-methylpentan-2-ylamino)-3-thiophen-2-ylpropanoate
CID 43724906
4-methyl-N-[2-(1-thiophen-2-ylpropylamino)ethyl]benzamide
CID 60965034
3-methylsulfinyl-N-(1-thiophen-2-ylpropyl)butan-1-amine
CID 115894417
N'-hydroxy-4-(1-thiophen-2-ylpropylamino)butanimidamide
CID 77031852
methyl 3-[4-(methylamino)butanoylamino]-3-thiophen-2-ylpropanoate
CID 54925162
tert-butyl N-(2-methoxyethyl)-N-[2-(1-thiophen-2-ylpropylamino)ethyl]carbamate
CID 103906226
5-methyl-N-(1-thiophen-2-ylpropyl)hexan-1-amine
CID 115324978

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-thiophen-2-ylpropylamino)propanoate?
The IUPAC name of methyl 3-(1-thiophen-2-ylpropylamino)propanoate (CID 43139675) is methyl 3-(1-thiophen-2-ylpropylamino)propanoate.
What is the SMILES notation for methyl 3-(1-thiophen-2-ylpropylamino)propanoate?
The canonical SMILES for methyl 3-(1-thiophen-2-ylpropylamino)propanoate is CCC(NCCC(=O)OC)c1cccs1.
What is the InChIKey of methyl 3-(1-thiophen-2-ylpropylamino)propanoate?
The InChIKey is ANOHKMCAIBJZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-9(10-5-4-8-15-10)12-7-6-11(13)14-2/h4-5,8-9,12H,3,6-7H2,1-2H3.
What are the key properties of methyl 3-(1-thiophen-2-ylpropylamino)propanoate?
methyl 3-(1-thiophen-2-ylpropylamino)propanoate has a molecular weight of 227.33 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-(1-thiophen-2-ylpropylamino)propanoate is sourced from PubChem (CID 43139675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).