2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid

C12H15NO3S — CID 103162098

IUPAC2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(CC1CCC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H15NO3S/c14-10(7-8-3-1-4-8)13-11(12(15)16)9-5-2-6-17-9/h2,5-6,8,11H,1,3-4,7H2,(H,13,14)(H,15,16)
InChIKeyOSXPGONBDZKESS-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.18
Rot. Bonds5

About 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid

2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 103162098) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID103162098
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(CC1CCC1)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H15NO3S/c14-10(7-8-3-1-4-8)13-11(12(15)16)9-5-2-6-17-9/h2,5-6,8,11H,1,3-4,7H2,(H,13,14)(H,15,16)
InChIKeyOSXPGONBDZKESS-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[(2-cyclopentylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278582
2-[(2-pyrrolidin-3-ylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 113278796
2-(cyclobutylmethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285212
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
2-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 46565052
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
2-(2-cyclohexylethylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285275
2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-thiophen-2-ylacetic acid
CID 104968052
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278881
2-[[cyclohexyl(ethyl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285149
2-[[2-(aminomethyl)cyclopentanecarbonyl]amino]-2-thiophen-2-ylacetic acid
CID 115284735
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid (CID 103162098) is 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid is O=C(CC1CCC1)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is OSXPGONBDZKESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-10(7-8-3-1-4-8)13-11(12(15)16)9-5-2-6-17-9/h2,5-6,8,11H,1,3-4,7H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 253.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclobutylacetyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 103162098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).