(2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid

C14H24N2O5S — CID 119371560

IUPAC(2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C14H24N2O5S/c1-10-4-6-11(7-5-10)15-22(20,21)9-13(17)16-8-2-3-12(16)14(18)19/h10-12,15H,2-9H2,1H3,(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyRRACJZVQDCYDAR-HTAVTVPLSA-N
MW332.42 g/mol
LogP0.56
Rot. Bonds5

About (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371560) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119371560
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Name(2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C14H24N2O5S/c1-10-4-6-11(7-5-10)15-22(20,21)9-13(17)16-8-2-3-12(16)14(18)19/h10-12,15H,2-9H2,1H3,(H,18,19)/t10?,11?,12-/m1/s1
InChIKeyRRACJZVQDCYDAR-HTAVTVPLSA-N
XLogP0.56
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-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

4-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]morpholine-3-carboxylic acid
CID 119216248
1-(2-propylsulfonylacetyl)pyrrolidine-2-carboxylic acid
CID 119355643
(2S)-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 66263848
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 102553532
(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61174194
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020
1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119355518
(2R)-1-[2-[ethylsulfonyl(methyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119370547
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide;hydrochloride
CID 119648333
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid (CID 119371560) is (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid is CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@@H]2C(=O)O)CC1.
What is the InChIKey of (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RRACJZVQDCYDAR-HTAVTVPLSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-10-4-6-11(7-5-10)15-22(20,21)9-13(17)16-8-2-3-12(16)14(18)19/h10-12,15H,2-9H2,1H3,(H,18,19)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 332.42 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).