2-(pyrrolidin-1-ylsulfonylamino)butanoic acid

C8H16N2O4S — CID 43470011

IUPAC2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESCCC(NS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-2-7(8(11)12)9-15(13,14)10-5-3-4-6-10/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyAYQACQYLFBTHME-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.22
Rot. Bonds5

About 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid

2-(pyrrolidin-1-ylsulfonylamino)butanoic acid (PubChem CID 43470011) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
PubChem CID43470011
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESCCC(NS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C8H16N2O4S/c1-2-7(8(11)12)9-15(13,14)10-5-3-4-6-10/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyAYQACQYLFBTHME-UHFFFAOYSA-N
XLogP-0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43110816
(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 104935080
4-methylsulfonyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43094874
(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 122069411

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid (CID 43470011) is 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid is CCC(NS(=O)(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is AYQACQYLFBTHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-7(8(11)12)9-15(13,14)10-5-3-4-6-10/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 236.29 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 43470011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).