(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid

C9H12N2O5S — CID 61144532

IUPAC(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C9H12N2O5S/c12-6-3-8(9(13)14)11(5-6)17(15,16)7-1-2-10-4-7/h1-2,4,6,8,10,12H,3,5H2,(H,13,14)/t6?,8-/m0/s1
InChIKeyROJDEYNWXXXVNX-XDKWHASVSA-N
MW260.27 g/mol
LogP-0.78
Rot. Bonds3

About (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61144532) has the molecular formula C9H12N2O5S and a molecular weight of 260.27 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
PubChem CID61144532
Molecular FormulaC9H12N2O5S
Molecular Weight260.27 g/mol
Exact Mass260.05
IUPAC Name(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1S(=O)(=O)c1cc[nH]c1
InChIInChI=1S/C9H12N2O5S/c12-6-3-8(9(13)14)11(5-6)17(15,16)7-1-2-10-4-7/h1-2,4,6,8,10,12H,3,5H2,(H,13,14)/t6?,8-/m0/s1
InChIKeyROJDEYNWXXXVNX-XDKWHASVSA-N
XLogP-0.78
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-pyrrol-3-ylsulfonyl)azetidine-2-carboxylic acid
CID 131140796
(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78923122
(2R,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 11869799
(2R,4R)-1-(3,4-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000902
(2S,4S)-1-(3,5-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712843
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61144941
4-hydroxy-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 102690637
1-(3-chloro-4-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 43241328
(2S,4S)-1-(3-fluoro-4-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712338
(2S,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2424187
(2R,4R)-1-(4-bromo-3-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000929
(2S)-1-(4-bromo-3-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 45291241

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid (CID 61144532) is (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1S(=O)(=O)c1cc[nH]c1.
What is the InChIKey of (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ROJDEYNWXXXVNX-XDKWHASVSA-N. The full InChI is InChI=1S/C9H12N2O5S/c12-6-3-8(9(13)14)11(5-6)17(15,16)7-1-2-10-4-7/h1-2,4,6,8,10,12H,3,5H2,(H,13,14)/t6?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 260.27 g/mol, XLogP of -0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61144532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).