2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid

C11H21NO4S — CID 105360802

IUPAC2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H21NO4S/c1-4-12(11(2,3)10(13)14)17(15,16)9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyBCITYWVVRVHGJM-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.44
Rot. Bonds5

About 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid

2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 105360802) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID105360802
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(C(C)(C)C(=O)O)S(=O)(=O)C1CCCC1
InChIInChI=1S/C11H21NO4S/c1-4-12(11(2,3)10(13)14)17(15,16)9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyBCITYWVVRVHGJM-UHFFFAOYSA-N
XLogP1.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexylmethylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818726
2-[ethyl(sulfamoyl)amino]-2-methylpropanoic acid
CID 114958849
2-[ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanoic acid
CID 55123401
2-[(2-cyclopentylsulfonylacetyl)-methylamino]-2-methylpropanoic acid
CID 119200701
N-(1-amino-2-methylpropan-2-yl)-N-ethylcyclopropanesulfonamide
CID 64552380
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428
2-[ethyl-(2-methoxy-2-oxoethyl)sulfonylamino]-2-methylpropanoic acid
CID 62818377
2-[1-cyclopentylethyl(ethyl)amino]-2-methylpropanoic acid
CID 65061861
2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
2-[(2-tert-butylcyclohexyl)-ethylamino]-2-methylpropanoic acid
CID 65061717
2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
CID 105360726
2-cyclopentylsulfonyl-2-sulfanylpropanoic acid
CID 151879846

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid (CID 105360802) is 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid is CCN(C(C)(C)C(=O)O)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is BCITYWVVRVHGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-4-12(11(2,3)10(13)14)17(15,16)9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid?
2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 263.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 105360802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).