(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid

C10H17N3O4S — CID 122069672

IUPAC(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-2-12(7-4-6-11)18(16,17)13-8-3-5-9(13)10(14)15/h9H,2-5,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyQTCMENDKOVBKMI-SECBINFHSA-N
MW275.33 g/mol
LogP0.02
Rot. Bonds6

About (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 122069672) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid
PubChem CID122069672
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid
SMILESCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C10H17N3O4S/c1-2-12(7-4-6-11)18(16,17)13-8-3-5-9(13)10(14)15/h9H,2-5,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyQTCMENDKOVBKMI-SECBINFHSA-N
XLogP0.02
TPSA101.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-cyanoethyl(ethyl)sulfamoyl]piperidine-4-carboxylic acid
CID 54876717
1-[bis(cyanomethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857593
1-[ethyl(2-methylprop-2-enyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857926
1-[ethyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]piperidine-2-carboxylic acid
CID 60858940
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008
3-[(2-ethoxycarbonylpyrrolidin-1-yl)sulfonyl-ethylamino]propanoic acid
CID 61009034
(2S)-1-[2-cyanopropyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 122069755
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60859892
(2R)-N-cyclopropyl-1-(diethylsulfamoyl)pyrrolidine-2-carboxamide
CID 35611405
tert-butyl (2S)-1-(diethylsulfamoyl)pyrrolidine-2-carboxylate
CID 81005114
1-[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441954
(2S)-1-[4-(diethylsulfamoyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 1457949

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid (CID 122069672) is (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid is CCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QTCMENDKOVBKMI-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-2-12(7-4-6-11)18(16,17)13-8-3-5-9(13)10(14)15/h9H,2-5,7-8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-cyanoethyl(ethyl)sulfamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122069672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).