methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate

C11H13Cl2NO3S — CID 78882877

IUPACmethyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(Cl)sc1Cl)C(C)C
InChIInChI=1S/C11H13Cl2NO3S/c1-6(2)14(5-9(15)17-3)11(16)7-4-8(12)18-10(7)13/h4,6H,5H2,1-3H3
InChIKeyOSERBQSGGMYEPH-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.08
Rot. Bonds4

About methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 78882877) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID78882877
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Namemethyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(Cl)sc1Cl)C(C)C
InChIInChI=1S/C11H13Cl2NO3S/c1-6(2)14(5-9(15)17-3)11(16)7-4-8(12)18-10(7)13/h4,6H,5H2,1-3H3
InChIKeyOSERBQSGGMYEPH-UHFFFAOYSA-N
XLogP3.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate (CID 78882877) is methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cc(Cl)sc1Cl)C(C)C.
What is the InChIKey of methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is OSERBQSGGMYEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c1-6(2)14(5-9(15)17-3)11(16)7-4-8(12)18-10(7)13/h4,6H,5H2,1-3H3.
What are the key properties of methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 310.20 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dichlorothiophene-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 78882877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).