2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid

C11H20N2O5S — CID 63141772

IUPAC2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
SMILESCC1(C(=O)NC(CCS(C)(=O)=O)C(=O)O)CCNC1
InChIInChI=1S/C11H20N2O5S/c1-11(4-5-12-7-11)10(16)13-8(9(14)15)3-6-19(2,17)18/h8,12H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRZEXDXMPYZYYIJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP-1.01
Rot. Bonds6

About 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid

2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid (PubChem CID 63141772) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid.

Molecular Properties

Compound Name2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
PubChem CID63141772
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
SMILESCC1(C(=O)NC(CCS(C)(=O)=O)C(=O)O)CCNC1
InChIInChI=1S/C11H20N2O5S/c1-11(4-5-12-7-11)10(16)13-8(9(14)15)3-6-19(2,17)18/h8,12H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRZEXDXMPYZYYIJ-UHFFFAOYSA-N
XLogP-1.01
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid?
The IUPAC name of 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid (CID 63141772) is 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid.
What is the SMILES notation for 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid?
The canonical SMILES for 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid is CC1(C(=O)NC(CCS(C)(=O)=O)C(=O)O)CCNC1.
What is the InChIKey of 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid?
The InChIKey is RZEXDXMPYZYYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-11(4-5-12-7-11)10(16)13-8(9(14)15)3-6-19(2,17)18/h8,12H,3-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid?
2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid has a molecular weight of 292.36 g/mol, XLogP of -1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfonylbutanoic acid is sourced from PubChem (CID 63141772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).