2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid

C10H19NO4S — CID 63689892

IUPAC2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid
SMILESCC(C)(C)S(=O)(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C10H19NO4S/c1-10(2,3)16(14,15)11-6-4-5-8(11)7-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyWQHSLMHKIVUIMQ-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.05
Rot. Bonds3

About 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid

2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid (PubChem CID 63689892) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid
PubChem CID63689892
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid
SMILESCC(C)(C)S(=O)(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C10H19NO4S/c1-10(2,3)16(14,15)11-6-4-5-8(11)7-9(12)13/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyWQHSLMHKIVUIMQ-UHFFFAOYSA-N
XLogP1.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-(1-tert-butylsulfonylpiperidin-2-yl)propan-2-one
CID 79549113
2-(1-ethylsulfonylpyrrolidin-2-yl)acetic acid
CID 61372468
(1-tert-butylsulfonylpyrrolidin-2-yl)methanamine
CID 63767722
2-(4-tert-butylsulfonylthiomorpholin-3-yl)acetic acid
CID 66445474
2-[1-(ethylsulfamoyl)pyrrolidin-2-yl]acetic acid
CID 114805816
2-(3-bromopropyl)-1-tert-butylsulfonylpyrrolidine
CID 80675102
2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]acetic acid
CID 61453655
(2R)-1-tert-butylsulfonylpyrrolidine-2-carboxamide
CID 59831561
2-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]acetic acid
CID 63245000
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61371093
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61372074
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]acetic acid
CID 61370109

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid (CID 63689892) is 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid is CC(C)(C)S(=O)(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid?
The InChIKey is WQHSLMHKIVUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-10(2,3)16(14,15)11-6-4-5-8(11)7-9(12)13/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid?
2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid has a molecular weight of 249.33 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylsulfonylpyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 63689892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).