methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate

C12H13NO2S2 — CID 170884294

IUPACmethyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2ccsc2)s1
InChIInChI=1S/C12H13NO2S2/c1-15-12(14)10(13)6-9-2-3-11(17-9)8-4-5-16-7-8/h2-5,7,10H,6,13H2,1H3
InChIKeyYVASKAFSOYCYPQ-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.52
Rot. Bonds4

About methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate

methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate (PubChem CID 170884294) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate
PubChem CID170884294
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Namemethyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2ccsc2)s1
InChIInChI=1S/C12H13NO2S2/c1-15-12(14)10(13)6-9-2-3-11(17-9)8-4-5-16-7-8/h2-5,7,10H,6,13H2,1H3
InChIKeyYVASKAFSOYCYPQ-UHFFFAOYSA-N
XLogP2.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate (CID 170884294) is methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate is COC(=O)C(N)Cc1ccc(-c2ccsc2)s1.
What is the InChIKey of methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate?
The InChIKey is YVASKAFSOYCYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-15-12(14)10(13)6-9-2-3-11(17-9)8-4-5-16-7-8/h2-5,7,10H,6,13H2,1H3.
What are the key properties of methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate?
methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate has a molecular weight of 267.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(5-thiophen-3-ylthiophen-2-yl)propanoate is sourced from PubChem (CID 170884294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).