3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid

C11H19NO5S — CID 119237505

IUPAC3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO5S/c1-8(11(14)15)6-12-10(13)7-18(16,17)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyXDHJIBRZTACELK-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.18
Rot. Bonds6

About 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid

3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid (PubChem CID 119237505) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
PubChem CID119237505
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Name3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CS(=O)(=O)C1CCCC1)C(=O)O
InChIInChI=1S/C11H19NO5S/c1-8(11(14)15)6-12-10(13)7-18(16,17)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyXDHJIBRZTACELK-UHFFFAOYSA-N
XLogP0.18
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclopentylsulfonylacetyl)amino]butanoic acid
CID 119224037
(2R)-2-[(2-cyclopentylsulfonylacetyl)amino]-3-methylbutanoic acid
CID 119369506
2-[(2-cyclopentylsulfonylacetyl)amino]-2-cyclopropylacetic acid
CID 119213913
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylpropanoic acid
CID 62675197
3-[3-(cyclopentanecarbonylamino)propanoylamino]-2-methylpropanoic acid
CID 55105354
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
N-(2-aminoethyl)-2-cyclopropylsulfonylacetamide
CID 84674340
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
(2R)-2-(3-cyclopentylsulfonylpropanoylamino)-3-methylbutanoic acid
CID 119368827
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopentylsulfonylacetamide;hydrochloride
CID 119606077
2-[(2-cyclopentylsulfonylacetyl)-cyclopropylamino]propanoic acid
CID 119203343
2-[1-[(2-cyclopentylsulfonylacetyl)amino]cyclobutyl]acetic acid
CID 119217995

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid (CID 119237505) is 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid is CC(CNC(=O)CS(=O)(=O)C1CCCC1)C(=O)O.
What is the InChIKey of 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid?
The InChIKey is XDHJIBRZTACELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-8(11(14)15)6-12-10(13)7-18(16,17)9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid?
3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid has a molecular weight of 277.34 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylsulfonylacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).