(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid

C14H22N4O5S — CID 119370543

IUPAC(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H22N4O5S/c1-8-12(10(3)17(4)15-8)24(22,23)16-9(2)13(19)18-7-5-6-11(18)14(20)21/h9,11,16H,5-7H2,1-4H3,(H,20,21)/t9?,11-/m1/s1
InChIKeyBPSZVLKVMYRBOJ-HCCKASOXSA-N
MW358.42 g/mol
LogP-0.22
Rot. Bonds5

About (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119370543) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119370543
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Name(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C14H22N4O5S/c1-8-12(10(3)17(4)15-8)24(22,23)16-9(2)13(19)18-7-5-6-11(18)14(20)21/h9,11,16H,5-7H2,1-4H3,(H,20,21)/t9?,11-/m1/s1
InChIKeyBPSZVLKVMYRBOJ-HCCKASOXSA-N
XLogP-0.22
TPSA121.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 97323918
1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 95281378
1,3,5-trimethyl-N-[1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 155947004
(2R)-1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372128
N-[1-(4-amino-3,3-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 120818233
1-[2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-2-carboxylic acid
CID 119175927
N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119415813
1-[2-[(4-chlorophenyl)sulfonylamino]propanoyl]piperidine-2-carboxylic acid
CID 119176050
2-methyl-3-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119237110
(2S)-1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365853
3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 119207278
1-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxybutanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 19940471

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid (CID 119370543) is (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BPSZVLKVMYRBOJ-HCCKASOXSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-8-12(10(3)17(4)15-8)24(22,23)16-9(2)13(19)18-7-5-6-11(18)14(20)21/h9,11,16H,5-7H2,1-4H3,(H,20,21)/t9?,11-/m1/s1.
What are the key properties of (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 358.42 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).