2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid

C11H11Cl2NO3S — CID 103790771

IUPAC2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(Cl)sc2Cl)CCC1
InChIInChI=1S/C11H11Cl2NO3S/c12-7-4-6(9(13)18-7)10(17)14-11(2-1-3-11)5-8(15)16/h4H,1-3,5H2,(H,14,17)(H,15,16)
InChIKeyBJLOHWJXXWUVPG-UHFFFAOYSA-N
MW308.19 g/mol
LogP3.18
Rot. Bonds4

About 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 103790771) has the molecular formula C11H11Cl2NO3S and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID103790771
Molecular FormulaC11H11Cl2NO3S
Molecular Weight308.19 g/mol
Exact Mass306.98
IUPAC Name2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(Cl)sc2Cl)CCC1
InChIInChI=1S/C11H11Cl2NO3S/c12-7-4-6(9(13)18-7)10(17)14-11(2-1-3-11)5-8(15)16/h4H,1-3,5H2,(H,14,17)(H,15,16)
InChIKeyBJLOHWJXXWUVPG-UHFFFAOYSA-N
XLogP3.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 106500317
2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845388
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672384
2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 114037013
2-[1-[(2-chloro-5-methylsulfanylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848323
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790
2-[1-[(4-chloro-2-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 64671169
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid (CID 103790771) is 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(Cl)sc2Cl)CCC1.
What is the InChIKey of 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is BJLOHWJXXWUVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO3S/c12-7-4-6(9(13)18-7)10(17)14-11(2-1-3-11)5-8(15)16/h4H,1-3,5H2,(H,14,17)(H,15,16).
What are the key properties of 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 308.19 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 103790771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).