ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate

C10H11Cl2NO3S — CID 94201025

IUPACethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO3S/c1-3-16-10(15)5(2)13-9(14)6-4-7(11)17-8(6)12/h4-5H,3H2,1-2H3,(H,13,14)/t5-/m1/s1
InChIKeyYBLIITNFGJMZAH-RXMQYKEDSA-N
MW296.18 g/mol
LogP2.74
Rot. Bonds4

About ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate

ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate (PubChem CID 94201025) has the molecular formula C10H11Cl2NO3S and a molecular weight of 296.18 g/mol. Its IUPAC name is ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
PubChem CID94201025
Molecular FormulaC10H11Cl2NO3S
Molecular Weight296.18 g/mol
Exact Mass294.98
IUPAC Nameethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO3S/c1-3-16-10(15)5(2)13-9(14)6-4-7(11)17-8(6)12/h4-5H,3H2,1-2H3,(H,13,14)/t5-/m1/s1
InChIKeyYBLIITNFGJMZAH-RXMQYKEDSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate (CID 94201025) is ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate?
The InChIKey is YBLIITNFGJMZAH-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H11Cl2NO3S/c1-3-16-10(15)5(2)13-9(14)6-4-7(11)17-8(6)12/h4-5H,3H2,1-2H3,(H,13,14)/t5-/m1/s1.
What are the key properties of ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate?
ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate has a molecular weight of 296.18 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2,5-dichlorothiophene-3-carbonyl)amino]propanoate is sourced from PubChem (CID 94201025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).