2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid

C12H21NO5S — CID 119200701

IUPAC2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)CS(=O)(=O)C1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H21NO5S/c1-12(2,11(15)16)13(3)10(14)8-19(17,18)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyHJGBDFPPIPQWRI-UHFFFAOYSA-N
MW291.37 g/mol
LogP0.67
Rot. Bonds5

About 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid

2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid (PubChem CID 119200701) has the molecular formula C12H21NO5S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
PubChem CID119200701
Molecular FormulaC12H21NO5S
Molecular Weight291.37 g/mol
Exact Mass291.11
IUPAC Name2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)CS(=O)(=O)C1CCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C12H21NO5S/c1-12(2,11(15)16)13(3)10(14)8-19(17,18)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyHJGBDFPPIPQWRI-UHFFFAOYSA-N
XLogP0.67
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-cyclopentylsulfonyl-N-methylacetamide
CID 166187779
2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
CID 62818628
2-cyclopentylsulfonyl-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78883490
2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 65019470
2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 105360802
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
CID 96533216
tert-butyl 2-cyclopentylsulfonylacetate
CID 73425315
2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 62817910
2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid
CID 119193319
2-cyclohexylsulfonyl-1-cyclopentylethanone
CID 104756158
2-[[2-(cyclopropylmethoxy)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200322

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid (CID 119200701) is 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid is CN(C(=O)CS(=O)(=O)C1CCCC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is HJGBDFPPIPQWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5S/c1-12(2,11(15)16)13(3)10(14)8-19(17,18)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid?
2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 291.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119200701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).