1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C7H14N2O5S — CID 114805196

IUPAC1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCNS(=O)(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-2-8-15(13,14)9-4-5(10)3-6(9)7(11)12/h5-6,8,10H,2-4H2,1H3,(H,11,12)
InChIKeyAHVKFPPPINREDX-UHFFFAOYSA-N
MW238.26 g/mol
LogP-1.64
Rot. Bonds4

About 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114805196) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114805196
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCNS(=O)(=O)N1CC(O)CC1C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-2-8-15(13,14)9-4-5(10)3-6(9)7(11)12/h5-6,8,10H,2-4H2,1H3,(H,11,12)
InChIKeyAHVKFPPPINREDX-UHFFFAOYSA-N
XLogP-1.64
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-hydroxy-1-(2-methoxyethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104978598
(2S,4S)-4-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104977931
(2R,4R)-4-hydroxy-1-(methoxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929151
(2S)-1-(dipropylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61143709
(2S,4S)-4-hydroxy-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 64712340
(2S,4R)-4-hydroxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 104929145
(2S,4S)-4-hydroxy-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 64714253
(2R,4R)-1-(2-ethoxy-2-oxoethyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999845
(2S)-1-(cyclopropylmethylsulfonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64987540
(2S)-1-(3-ethoxy-3-oxopropyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 61459284
(2S,4S)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713528
(2R,4R)-1-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000977

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 114805196) is 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCNS(=O)(=O)N1CC(O)CC1C(=O)O.
What is the InChIKey of 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is AHVKFPPPINREDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-2-8-15(13,14)9-4-5(10)3-6(9)7(11)12/h5-6,8,10H,2-4H2,1H3,(H,11,12).
What are the key properties of 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114805196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).