4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid

C11H21NO4S — CID 65068130

IUPAC4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-12(8-4-7-11(13)14)9-5-3-6-10(9)17(2,15)16/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyYDPKLTAXBYDRRR-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.75
Rot. Bonds6

About 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid

4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid (PubChem CID 65068130) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid
PubChem CID65068130
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C1CCCC1S(C)(=O)=O
InChIInChI=1S/C11H21NO4S/c1-12(8-4-7-11(13)14)9-5-3-6-10(9)17(2,15)16/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyYDPKLTAXBYDRRR-UHFFFAOYSA-N
XLogP0.75
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-(2-methylsulfonylcyclopentyl)amino]propanoic acid
CID 65059053
3-[methyl-(2-methylsulfonylcyclohexyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981947
cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129428940
N-(2-bromoprop-2-enyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 84591142
2-[cyclopentyl-(2-methylsulfonylcyclopentyl)amino]acetic acid
CID 65058653
4-[(2-methylcyclopentyl)-propan-2-ylamino]butanoic acid
CID 65058593
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine
CID 129423562
4-[methyl(thian-3-yl)amino]butanoic acid
CID 65068282
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
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
N-(tert-butylcarbamoyl)-2-[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]acetamide
CID 124726040

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid (CID 65068130) is 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid is CN(CCCC(=O)O)C1CCCC1S(C)(=O)=O.
What is the InChIKey of 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid?
The InChIKey is YDPKLTAXBYDRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-12(8-4-7-11(13)14)9-5-3-6-10(9)17(2,15)16/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid?
4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid has a molecular weight of 263.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methylsulfonylcyclopentyl)amino]butanoic acid is sourced from PubChem (CID 65068130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).