2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid

C12H23NO4S — CID 55260532

IUPAC2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid
SMILESCC(C)CCS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H23NO4S/c1-10(2)7-8-18(16,17)13(9-12(14)15)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyRCFRUYAXVNCGDC-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.69
Rot. Bonds7

About 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid

2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid (PubChem CID 55260532) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid
PubChem CID55260532
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid
SMILESCC(C)CCS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C12H23NO4S/c1-10(2)7-8-18(16,17)13(9-12(14)15)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyRCFRUYAXVNCGDC-UHFFFAOYSA-N
XLogP1.69
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid (CID 55260532) is 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid is CC(C)CCS(=O)(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid?
The InChIKey is RCFRUYAXVNCGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-10(2)7-8-18(16,17)13(9-12(14)15)11-5-3-4-6-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid?
2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid has a molecular weight of 277.39 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3-methylbutylsulfonyl)amino]acetic acid is sourced from PubChem (CID 55260532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).