5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid

C14H20N2O6S — CID 129465976

IUPAC5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H20N2O6S/c1-2-8-23(20,21)16-7-3-4-11(16)13(17)15-9-10-5-6-12(22-10)14(18)19/h5-6,11H,2-4,7-9H2,1H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyRWAHBHMDNHCKIF-LLVKDONJSA-N
MW344.39 g/mol
LogP0.80
Rot. Bonds7

About 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 129465976) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID129465976
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Name5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H20N2O6S/c1-2-8-23(20,21)16-7-3-4-11(16)13(17)15-9-10-5-6-12(22-10)14(18)19/h5-6,11H,2-4,7-9H2,1H3,(H,15,17)(H,18,19)/t11-/m1/s1
InChIKeyRWAHBHMDNHCKIF-LLVKDONJSA-N
XLogP0.80
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241350
N-(1,3-benzodioxol-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240294
methyl N-[4-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]carbamate
CID 55880907
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39855262
N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966570
2-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245167
(2R)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 95158838
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid (CID 129465976) is 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid is CCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is RWAHBHMDNHCKIF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O6S/c1-2-8-23(20,21)16-7-3-4-11(16)13(17)15-9-10-5-6-12(22-10)14(18)19/h5-6,11H,2-4,7-9H2,1H3,(H,15,17)(H,18,19)/t11-/m1/s1.
What are the key properties of 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 129465976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).