2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid

C13H21NO5S — CID 119203343

IUPAC2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CS(=O)(=O)C1CCCC1)C1CC1
InChIInChI=1S/C13H21NO5S/c1-9(13(16)17)14(10-6-7-10)12(15)8-20(18,19)11-4-2-3-5-11/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyJKDHWRPMKRGRMW-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.81
Rot. Bonds6

About 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid

2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid (PubChem CID 119203343) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
PubChem CID119203343
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CS(=O)(=O)C1CCCC1)C1CC1
InChIInChI=1S/C13H21NO5S/c1-9(13(16)17)14(10-6-7-10)12(15)8-20(18,19)11-4-2-3-5-11/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyJKDHWRPMKRGRMW-UHFFFAOYSA-N
XLogP0.81
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-cyclopentylsulfonyl-N-methylacetamide
CID 166187779
2-[cyclopropyl(4-methylpentanoyl)amino]propanoic acid
CID 119202197
2-[(2-cyclopentyloxyacetyl)-cyclopropylamino]propanoic acid
CID 119202432
2-[(2-cyclopentylsulfonylacetyl)-(2-methylpropyl)amino]acetic acid
CID 119193319
2-cyclopentylsulfonyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylacetamide
CID 96533216
2-[cyclopropyl-(2-methylsulfanylacetyl)amino]propanoic acid
CID 119202509
2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
CID 119200701
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
CID 119237505
2-[cyclopropyl(4-ethoxybutanoyl)amino]propanoic acid
CID 119203177
2-[[2-(cyclohexanecarbonylamino)acetyl]-cyclopropylamino]propanoic acid
CID 122067006
2-[cyclopropyl(3,5-dimethylhexanoyl)amino]propanoic acid
CID 119202296
(2R)-2-[(2-cyclopentylsulfonylacetyl)amino]-3-methylbutanoic acid
CID 119369506

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid (CID 119203343) is 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)CS(=O)(=O)C1CCCC1)C1CC1.
What is the InChIKey of 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid?
The InChIKey is JKDHWRPMKRGRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c1-9(13(16)17)14(10-6-7-10)12(15)8-20(18,19)11-4-2-3-5-11/h9-11H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid?
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid has a molecular weight of 303.38 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid is sourced from PubChem (CID 119203343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).