2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid

C10H19NO4S — CID 105360726

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

About 2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid

2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid (PubChem CID 105360726) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
PubChem CID105360726
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)S(=O)(=O)C1CCCC1
InChIInChI=1S/C10H19NO4S/c1-8(2)11(7-10(12)13)16(14,15)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRARFKESBPCXTRJ-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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Related Compounds

2-[Cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 83067877
2-[Butan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 83067951
2-[Propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 83068025
2-[Cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 105360897
2-[3-Fluoropropylsulfonyl(propan-2-yl)amino]acetic acid
CID 120396595
2-[Propan-2-yl(1,1,1-trifluoropropan-2-ylsulfonyl)amino]acetic acid
CID 120396862
2-[3-Fluoropropylsulfonyl(propyl)amino]acetic acid
CID 120397002
2-[4-Fluorobutylsulfonyl(propan-2-yl)amino]acetic acid
CID 121617581
2-[4-Fluorobutylsulfonyl(propyl)amino]acetic acid
CID 121617582
2-[4-Fluorobutylsulfonyl(methyl)amino]propanoic acid
CID 121617587
2-[Propan-2-yl(3,3,3-trifluoropropylsulfonyl)amino]acetic acid
CID 122072166
2-[Octylsulfonyl(propyl)amino]acetic acid
CID 18993904

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid (CID 105360726) is 2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)S(=O)(=O)C1CCCC1.
What is the InChIKey of 2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid?
The InChIKey is RARFKESBPCXTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(2)11(7-10(12)13)16(14,15)9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid?
2-[cyclopentylsulfonyl(propan-2-yl)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-[cyclopentylsulfonyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 105360726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).