1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid

C13H23N3O6S — CID 119356885

IUPAC1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H23N3O6S/c1-9(2)15-11(17)8-14-23(21,22)7-5-12(18)16-6-3-4-10(16)13(19)20/h9-10,14H,3-8H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyUARGPZYKEZENIS-UHFFFAOYSA-N
MW349.41 g/mol
LogP-1.10
Rot. Bonds8

About 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid

1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356885) has the molecular formula C13H23N3O6S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119356885
Molecular FormulaC13H23N3O6S
Molecular Weight349.41 g/mol
Exact Mass349.13
IUPAC Name1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H23N3O6S/c1-9(2)15-11(17)8-14-23(21,22)7-5-12(18)16-6-3-4-10(16)13(19)20/h9-10,14H,3-8H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyUARGPZYKEZENIS-UHFFFAOYSA-N
XLogP-1.10
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[5-oxo-5-(propan-2-ylamino)pentanoyl]pyrrolidine-2-carboxylic acid
CID 119366095
1-[3-(2-methylpropylsulfonyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119355675
1-[3-(propan-2-ylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 61157681
1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]azepane-2-carboxylic acid
CID 64564676
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
1-[2-(4-methylpentanoylamino)acetyl]piperidine-2-carboxylic acid
CID 119176267
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-(3-hydroxybutanoyl)pyrrolidine-2-carboxylic acid
CID 139391002
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
1-[5-(ethylamino)-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 119355725
(2S)-1-[4-(1,3-diphenylpropan-2-ylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 97302032

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid (CID 119356885) is 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid is CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UARGPZYKEZENIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O6S/c1-9(2)15-11(17)8-14-23(21,22)7-5-12(18)16-6-3-4-10(16)13(19)20/h9-10,14H,3-8H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of -1.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).