methyl 2-methyl-3-(thiophen-3-ylamino)propanoate

C9H13NO2S — CID 66351932

IUPACmethyl 2-methyl-3-(thiophen-3-ylamino)propanoate
SMILESCOC(=O)C(C)CNc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-7(9(11)12-2)5-10-8-3-4-13-6-8/h3-4,6-7,10H,5H2,1-2H3
InChIKeyOMFQZPDYLJTRRV-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.97
Rot. Bonds4

About methyl 2-methyl-3-(thiophen-3-ylamino)propanoate

methyl 2-methyl-3-(thiophen-3-ylamino)propanoate (PubChem CID 66351932) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is methyl 2-methyl-3-(thiophen-3-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(thiophen-3-ylamino)propanoate
PubChem CID66351932
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Namemethyl 2-methyl-3-(thiophen-3-ylamino)propanoate
SMILESCOC(=O)C(C)CNc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-7(9(11)12-2)5-10-8-3-4-13-6-8/h3-4,6-7,10H,5H2,1-2H3
InChIKeyOMFQZPDYLJTRRV-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(thiophen-3-ylamino)propanoate?
The IUPAC name of methyl 2-methyl-3-(thiophen-3-ylamino)propanoate (CID 66351932) is methyl 2-methyl-3-(thiophen-3-ylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(thiophen-3-ylamino)propanoate?
The canonical SMILES for methyl 2-methyl-3-(thiophen-3-ylamino)propanoate is COC(=O)C(C)CNc1ccsc1.
What is the InChIKey of methyl 2-methyl-3-(thiophen-3-ylamino)propanoate?
The InChIKey is OMFQZPDYLJTRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-7(9(11)12-2)5-10-8-3-4-13-6-8/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(thiophen-3-ylamino)propanoate?
methyl 2-methyl-3-(thiophen-3-ylamino)propanoate has a molecular weight of 199.28 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(thiophen-3-ylamino)propanoate is sourced from PubChem (CID 66351932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).