2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid

C13H21NO5S — CID 119217995

IUPAC2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CS(=O)(=O)C2CCCC2)CCC1
InChIInChI=1S/C13H21NO5S/c15-11(9-20(18,19)10-4-1-2-5-10)14-13(6-3-7-13)8-12(16)17/h10H,1-9H2,(H,14,15)(H,16,17)
InChIKeyAKDCBXRJJISPRV-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.86
Rot. Bonds6

About 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid

2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid (PubChem CID 119217995) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid
PubChem CID119217995
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CS(=O)(=O)C2CCCC2)CCC1
InChIInChI=1S/C13H21NO5S/c15-11(9-20(18,19)10-4-1-2-5-10)14-13(6-3-7-13)8-12(16)17/h10H,1-9H2,(H,14,15)(H,16,17)
InChIKeyAKDCBXRJJISPRV-UHFFFAOYSA-N
XLogP0.86
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
2-[1-[(2-piperidin-4-ylacetyl)amino]cyclobutyl]acetic acid
CID 79846171
2-[1-[(2-pyrrolidin-3-ylacetyl)amino]cyclobutyl]acetic acid
CID 79845652
2-[1-(cyclopentylamino)cyclopentyl]acetic acid
CID 82933315
2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid
CID 119218188
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid (CID 119217995) is 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CS(=O)(=O)C2CCCC2)CCC1.
What is the InChIKey of 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid?
The InChIKey is AKDCBXRJJISPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c15-11(9-20(18,19)10-4-1-2-5-10)14-13(6-3-7-13)8-12(16)17/h10H,1-9H2,(H,14,15)(H,16,17).
What are the key properties of 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid has a molecular weight of 303.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).