(2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide

C13H18N2O4S — CID 57339412

IUPAC(2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1
InChIKeyFTQOZDRDOVWSBK-GFCCVEGCSA-N
MW298.36 g/mol
LogP0.53
Rot. Bonds5

About (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide

(2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 57339412) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID57339412
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide
SMILESO=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1
InChIKeyFTQOZDRDOVWSBK-GFCCVEGCSA-N
XLogP0.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-Pentyl-benzenesulfonyl)-4-piperidin-1-yl-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10693592
(2R)-N-hydroxy-1-[2-(4-phenylphenyl)ethylsulfonyl]pyrrolidine-2-carboxamide
CID 71817097
(2R)-N-hydroxy-1-[4-(2-phenylethynyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 162677454
N-hydroxy-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-thiazolidine-3-carboxamide
CID 9841168
2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazolidine-3-carboxamide 1,1-dioxide
CID 10109170
(R)-1-(butylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)-pyrrolidine-2-carboxamide
CID 11849702
(R)-1-(isopropylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 11849844
(8S)-N-hydroxy-7-(4-methylphenyl)sulfonyl-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
CID 72737563
(3R)-2-(1,1-biphenyl-4-ylmethyl)-N-hydroxyisothiazolidine-3-carboxamide 1,1-dioxide
CID 10269131
(2R)-N-hydroxy-3-methyl-2-[(2-phenylethane)sulfonamido]butanamide
CID 6539667
N-hydroxy-2-[(2-methyl-1,1-biphenyl-4-yl)methyl]isothiazolidine-3-carboxamide 1,1-dioxide
CID 11473879
Proline scaffold, 35
CID 42618132

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide (CID 57339412) is (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide is O=C(NO)[C@H]1CCCN1S(=O)(=O)CCc1ccccc1.
What is the InChIKey of (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is FTQOZDRDOVWSBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-13(14-17)12-7-4-9-15(12)20(18,19)10-8-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2,(H,14,16)/t12-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide?
(2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 298.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 57339412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).