3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

C11H18N2O4 — CID 83192584

IUPAC3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)(C)C(NC(=O)C1CNC(=O)C1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-11(2,3)8(10(16)17)13-9(15)6-4-7(14)12-5-6/h6,8H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyLHBFQLAEKMAZPT-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.26
Rot. Bonds3

About 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid

3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 83192584) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID83192584
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(C)(C)C(NC(=O)C1CNC(=O)C1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-11(2,3)8(10(16)17)13-9(15)6-4-7(14)12-5-6/h6,8H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyLHBFQLAEKMAZPT-UHFFFAOYSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid (CID 83192584) is 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is CC(C)(C)C(NC(=O)C1CNC(=O)C1)C(=O)O.
What is the InChIKey of 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is LHBFQLAEKMAZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(2,3)8(10(16)17)13-9(15)6-4-7(14)12-5-6/h6,8H,4-5H2,1-3H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid?
3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(5-oxopyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 83192584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).