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

C13H23N3O6S — CID 119355189

IUPAC1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H23N3O6S/c1-9(2)15-11(17)7-14-23(21,22)6-4-12(18)16-5-3-10(8-16)13(19)20/h9-10,14H,3-8H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyDOPDPFDHYYPUJN-UHFFFAOYSA-N
MW349.41 g/mol
LogP-1.25
Rot. Bonds8

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

1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119355189) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119355189
Molecular FormulaC13H23N3O6S
Molecular Weight349.41 g/mol
Exact Mass349.13
IUPAC Name1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C13H23N3O6S/c1-9(2)15-11(17)7-14-23(21,22)6-4-12(18)16-5-3-10(8-16)13(19)20/h9-10,14H,3-8H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyDOPDPFDHYYPUJN-UHFFFAOYSA-N
XLogP-1.25
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 ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356885
1-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103239210
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
1-[3-(benzenesulfonyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63005902
1-(5-amino-4-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 82012551
1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 113405670
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
(3S)-1-[2-(2-methylpropylsulfonyl)acetyl]pyrrolidine-3-carboxylic acid
CID 125149048
2-(2-aminoethylsulfonylamino)-N-propan-2-ylacetamide
CID 43567968
1-[4-oxo-4-(propylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119355311
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid (CID 119355189) is 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid is CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DOPDPFDHYYPUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O6S/c1-9(2)15-11(17)7-14-23(21,22)6-4-12(18)16-5-3-10(8-16)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-3-carboxylic acid?
1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of -1.25, 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-3-carboxylic acid is sourced from PubChem (CID 119355189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).