1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid

C9H16N2O4S — CID 114806145

IUPAC1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)NC2CC2)CC1C(=O)O
InChIInChI=1S/C9H16N2O4S/c1-6-4-11(5-8(6)9(12)13)16(14,15)10-7-2-3-7/h6-8,10H,2-5H2,1H3,(H,12,13)
InChIKeyUEBKTFAOILNZBQ-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.36
Rot. Bonds4

About 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 114806145) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID114806145
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(S(=O)(=O)NC2CC2)CC1C(=O)O
InChIInChI=1S/C9H16N2O4S/c1-6-4-11(5-8(6)9(12)13)16(14,15)10-7-2-3-7/h6-8,10H,2-5H2,1H3,(H,12,13)
InChIKeyUEBKTFAOILNZBQ-UHFFFAOYSA-N
XLogP-0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 114806145) is 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(S(=O)(=O)NC2CC2)CC1C(=O)O.
What is the InChIKey of 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is UEBKTFAOILNZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-6-4-11(5-8(6)9(12)13)16(14,15)10-7-2-3-7/h6-8,10H,2-5H2,1H3,(H,12,13).
What are the key properties of 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 248.30 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114806145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).