methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate

C11H16N2O3S — CID 82316828

IUPACmethyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate
SMILESCCc1cc(C(N)=O)c(NCCC(=O)OC)s1
InChIInChI=1S/C11H16N2O3S/c1-3-7-6-8(10(12)15)11(17-7)13-5-4-9(14)16-2/h6,13H,3-5H2,1-2H3,(H2,12,15)
InChIKeyNGVJDHKNXRZXKO-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.38
Rot. Bonds6

About methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate

methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate (PubChem CID 82316828) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate
PubChem CID82316828
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate
SMILESCCc1cc(C(N)=O)c(NCCC(=O)OC)s1
InChIInChI=1S/C11H16N2O3S/c1-3-7-6-8(10(12)15)11(17-7)13-5-4-9(14)16-2/h6,13H,3-5H2,1-2H3,(H2,12,15)
InChIKeyNGVJDHKNXRZXKO-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate (CID 82316828) is methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate is CCc1cc(C(N)=O)c(NCCC(=O)OC)s1.
What is the InChIKey of methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate?
The InChIKey is NGVJDHKNXRZXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-7-6-8(10(12)15)11(17-7)13-5-4-9(14)16-2/h6,13H,3-5H2,1-2H3,(H2,12,15).
What are the key properties of methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate?
methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate has a molecular weight of 256.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoyl-5-ethylthiophen-2-yl)amino]propanoate is sourced from PubChem (CID 82316828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).