2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid

C10H19NO4S — CID 60859941

IUPAC2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid
SMILESCC(C)S(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H19NO4S/c1-8(2)16(14,15)11(7-10(12)13)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyURKJAPMEQMGMJY-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.05
Rot. Bonds5

About 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid

2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid (PubChem CID 60859941) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid
PubChem CID60859941
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid
SMILESCC(C)S(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C10H19NO4S/c1-8(2)16(14,15)11(7-10(12)13)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyURKJAPMEQMGMJY-UHFFFAOYSA-N
XLogP1.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid (CID 60859941) is 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid is CC(C)S(=O)(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid?
The InChIKey is URKJAPMEQMGMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(2)16(14,15)11(7-10(12)13)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid?
2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid has a molecular weight of 249.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(propan-2-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60859941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).