(2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

C11H15N3O6S — CID 63856930

IUPAC(2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O6S/c1-13-5-7(21(12,19)20)3-8(13)10(16)14-4-6(15)2-9(14)11(17)18/h3,5-6,9,15H,2,4H2,1H3,(H,17,18)(H2,12,19,20)/t6-,9+/m1/s1
InChIKeyFXXFROPZNRBAHH-MUWHJKNJSA-N
MW317.32 g/mol
LogP-1.67
Rot. Bonds3

About (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 63856930) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID63856930
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name(2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C11H15N3O6S/c1-13-5-7(21(12,19)20)3-8(13)10(16)14-4-6(15)2-9(14)11(17)18/h3,5-6,9,15H,2,4H2,1H3,(H,17,18)(H2,12,19,20)/t6-,9+/m1/s1
InChIKeyFXXFROPZNRBAHH-MUWHJKNJSA-N
XLogP-1.67
TPSA142.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-1-(4-chloro-1-methylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28741605
(2S,4S)-1-(4-bromo-1-methylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28741579
2-[1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681351
5-(azocane-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 60708680
(2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152244
(2R,4R)-1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79001014
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 66120512
2-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813703
1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 115687304
(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
(2S,4S)-1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714386
1-(4-chloro-2-hydroxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24709404

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 63856930) is (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is Cn1cc(S(N)(=O)=O)cc1C(=O)N1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FXXFROPZNRBAHH-MUWHJKNJSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-13-5-7(21(12,19)20)3-8(13)10(16)14-4-6(15)2-9(14)11(17)18/h3,5-6,9,15H,2,4H2,1H3,(H,17,18)(H2,12,19,20)/t6-,9+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of -1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63856930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).