(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid

C9H12N2O4S — CID 78923122

IUPAC(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C9H12N2O4S/c12-9(13)8-2-1-5-11(8)16(14,15)7-3-4-10-6-7/h3-4,6,8,10H,1-2,5H2,(H,12,13)/t8-/m1/s1
InChIKeyPOASMYGCQCPOEL-MRVPVSSYSA-N
MW244.27 g/mol
LogP0.25
Rot. Bonds3

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

(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78923122) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is (2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
PubChem CID78923122
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C9H12N2O4S/c12-9(13)8-2-1-5-11(8)16(14,15)7-3-4-10-6-7/h3-4,6,8,10H,1-2,5H2,(H,12,13)/t8-/m1/s1
InChIKeyPOASMYGCQCPOEL-MRVPVSSYSA-N
XLogP0.25
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid
CID 131140796
methyl 1-(1H-pyrrol-3-ylsulfonyl)piperidine-2-carboxylate
CID 113330736
(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 61144532
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78920787
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 647028
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
2-[1-(1H-pyrrol-3-ylsulfonyl)piperidin-3-yl]acetic acid
CID 62691122
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43237854
(2R)-1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78923299

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid (CID 78923122) is (2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of (2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is POASMYGCQCPOEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c12-9(13)8-2-1-5-11(8)16(14,15)7-3-4-10-6-7/h3-4,6,8,10H,1-2,5H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).