(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid

C7H12N2O7S — CID 104929151

IUPAC(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C7H12N2O7S/c1-16-7(13)8-17(14,15)9-3-4(10)2-5(9)6(11)12/h4-5,10H,2-3H2,1H3,(H,8,13)(H,11,12)/t4-,5-/m1/s1
InChIKeyNZKVXNUTNIUHRT-RFZPGFLSSA-N
MW268.25 g/mol
LogP-1.89
Rot. Bonds3

About (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 104929151) has the molecular formula C7H12N2O7S and a molecular weight of 268.25 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
PubChem CID104929151
Molecular FormulaC7H12N2O7S
Molecular Weight268.25 g/mol
Exact Mass268.04
IUPAC Name(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
SMILESCOC(=O)NS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C7H12N2O7S/c1-16-7(13)8-17(14,15)9-3-4(10)2-5(9)6(11)12/h4-5,10H,2-3H2,1H3,(H,8,13)(H,11,12)/t4-,5-/m1/s1
InChIKeyNZKVXNUTNIUHRT-RFZPGFLSSA-N
XLogP-1.89
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929145
(2S)-4-hydroxy-1-(2-methoxyethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104978598
1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114805196
(2S,4S)-4-hydroxy-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 64712340
4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 114462039
(2R,4R)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000977
(2S,4S)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713528
(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104977931
1-(methoxycarbonylsulfamoyl)azetidine-3-carboxylic acid
CID 114462717
(2S,4S)-4-hydroxy-1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 64714429
methyl 1-(cyclopropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylate
CID 114811635
(2S,4S)-4-hydroxy-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 64714253

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid (CID 104929151) is (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid is COC(=O)NS(=O)(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NZKVXNUTNIUHRT-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H12N2O7S/c1-16-7(13)8-17(14,15)9-3-4(10)2-5(9)6(11)12/h4-5,10H,2-3H2,1H3,(H,8,13)(H,11,12)/t4-,5-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of -1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104929151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).