(2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

C11H16N4O5S — CID 119365828

IUPAC(2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)c1cnn(CCC(=O)N2CCC[C@H]2C(=O)O)c1
InChIInChI=1S/C11H16N4O5S/c12-21(19,20)8-6-13-14(7-8)5-3-10(16)15-4-1-2-9(15)11(17)18/h6-7,9H,1-5H2,(H,17,18)(H2,12,19,20)/t9-/m0/s1
InChIKeySYCMJCFAMPCAOH-VIFPVBQESA-N
MW316.34 g/mol
LogP-1.00
Rot. Bonds5

About (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

(2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119365828) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119365828
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name(2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)c1cnn(CCC(=O)N2CCC[C@H]2C(=O)O)c1
InChIInChI=1S/C11H16N4O5S/c12-21(19,20)8-6-13-14(7-8)5-3-10(16)15-4-1-2-9(15)11(17)18/h6-7,9H,1-5H2,(H,17,18)(H2,12,19,20)/t9-/m0/s1
InChIKeySYCMJCFAMPCAOH-VIFPVBQESA-N
XLogP-1.00
TPSA135.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]-3-oxopropyl]pyrazole-4-sulfonamide
CID 52510740
1-[3-(2-methoxycarbonylpyrrolidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483260
(2S)-1-(3-pyrazol-1-ylpropanoyl)piperidine-2-carboxylic acid
CID 28789916
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
(2R)-1-[3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370897
1-(3-pyrrolidin-1-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 79024004
N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 51103233
1-(4-pyrazol-1-ylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119355394
1-[3-[6-[3-(2-carboxypyrrolidin-1-yl)-3-oxopropyl]-2-pyridinyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 22717151
(2R)-N-tert-butyl-1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidine-2-carboxamide
CID 95620266
(2S)-1-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119366167
(2S)-1-(3-pyridin-3-yloxypropanoyl)pyrrolidine-2-carboxylic acid
CID 110837105

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 119365828) is (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is NS(=O)(=O)c1cnn(CCC(=O)N2CCC[C@H]2C(=O)O)c1.
What is the InChIKey of (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SYCMJCFAMPCAOH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4O5S/c12-21(19,20)8-6-13-14(7-8)5-3-10(16)15-4-1-2-9(15)11(17)18/h6-7,9H,1-5H2,(H,17,18)(H2,12,19,20)/t9-/m0/s1.
What are the key properties of (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 316.34 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(4-sulfamoylpyrazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119365828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).