1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid

C8H10N2O4S — CID 131140796

IUPAC1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C8H10N2O4S/c11-8(12)7-2-4-10(7)15(13,14)6-1-3-9-5-6/h1,3,5,7,9H,2,4H2,(H,11,12)
InChIKeyNHTGCBKVMDYEES-UHFFFAOYSA-N
MW230.24 g/mol
LogP-0.14
Rot. Bonds3

About 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid

1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid (PubChem CID 131140796) has the molecular formula C8H10N2O4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid
PubChem CID131140796
Molecular FormulaC8H10N2O4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid
SMILESO=C(O)C1CCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C8H10N2O4S/c11-8(12)7-2-4-10(7)15(13,14)6-1-3-9-5-6/h1,3,5,7,9H,2,4H2,(H,11,12)
InChIKeyNHTGCBKVMDYEES-UHFFFAOYSA-N
XLogP-0.14
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78923122
(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 61144532
methyl 1-(1H-pyrrol-3-ylsulfonyl)piperidine-2-carboxylate
CID 113330736
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
2-[1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-yl]acetic acid
CID 62691122
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
(2S)-1-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682
3-(1H-pyrrol-3-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314182
1-[1-(1H-pyrrol-3-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627588
(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78920787

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid (CID 131140796) is 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid is O=C(O)C1CCN1S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid?
The InChIKey is NHTGCBKVMDYEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S/c11-8(12)7-2-4-10(7)15(13,14)6-1-3-9-5-6/h1,3,5,7,9H,2,4H2,(H,11,12).
What are the key properties of 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid?
1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid has a molecular weight of 230.24 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid is sourced from PubChem (CID 131140796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).