2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid

C12H15NO3S — CID 79845790

IUPAC2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1cscc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H15NO3S/c1-8-6-17-7-9(8)11(16)13-12(3-2-4-12)5-10(14)15/h6-7H,2-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyOWGIXYSZZHTWKD-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.18
Rot. Bonds4

About 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79845790) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79845790
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1cscc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C12H15NO3S/c1-8-6-17-7-9(8)11(16)13-12(3-2-4-12)5-10(14)15/h6-7H,2-5H2,1H3,(H,13,16)(H,14,15)
InChIKeyOWGIXYSZZHTWKD-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 103790771
2-[1-[(2-methylfuran-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64671935
N-[1-(bromomethyl)-4-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 113275709
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
2-[1-[(2,5-dimethylbenzoyl)amino]cyclopropyl]acetic acid
CID 136550006
2-[1-[(2-methyl-5-sulfamoylbenzoyl)amino]cyclohexyl]acetic acid
CID 91835801
2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 119217742
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid (CID 79845790) is 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid is Cc1cscc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is OWGIXYSZZHTWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-8-6-17-7-9(8)11(16)13-12(3-2-4-12)5-10(14)15/h6-7H,2-5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 253.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79845790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).