2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid

C13H23NO4S — CID 65058653

IUPAC2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid
SMILESCS(=O)(=O)C1CCCC1N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO4S/c1-19(17,18)12-8-4-7-11(12)14(9-13(15)16)10-5-2-3-6-10/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyFENLEJCWLVNLSQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP1.28
Rot. Bonds5

About 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid

2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid (PubChem CID 65058653) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid
PubChem CID65058653
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid
SMILESCS(=O)(=O)C1CCCC1N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H23NO4S/c1-19(17,18)12-8-4-7-11(12)14(9-13(15)16)10-5-2-3-6-10/h10-12H,2-9H2,1H3,(H,15,16)
InChIKeyFENLEJCWLVNLSQ-UHFFFAOYSA-N
XLogP1.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid
CID 65059053
4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid
CID 65068130
2-[cyclopentyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
CID 81313655
N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 84591142
2-[cyclohexyl(oxetan-3-yl)amino]acetic acid
CID 83821316
4-[methyl-(2-methylsulfonylcyclohexyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673871
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
CID 50849243
2-[(2,3-dimethylcyclohexyl)-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 65059681
2-(1-aminocyclobutyl)-N-methyl-N-(2-methylsulfonylcyclopentyl)acetamide
CID 91659756
2-(1-aminocyclobutyl)-N-methyl-N-[(1R,2R)-2-methylsulfonylcyclopentyl]acetamide
CID 99850023
3-cyclopropyl-1-methyl-1-[(1R,2R)-2-methylsulfonylcyclopentyl]urea
CID 96535798

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid (CID 65058653) is 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid is CS(=O)(=O)C1CCCC1N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid?
The InChIKey is FENLEJCWLVNLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c1-19(17,18)12-8-4-7-11(12)14(9-13(15)16)10-5-2-3-6-10/h10-12H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid?
2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid has a molecular weight of 289.40 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid is sourced from PubChem (CID 65058653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).