2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid

C11H18N2O4 — CID 63072039

IUPAC2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CCC(=O)N1
InChIInChI=1S/C11H18N2O4/c1-7(2)5-13(6-10(15)16)11(17)8-3-4-9(14)12-8/h7-8H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyYJZXJLZLOJBASE-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.17
Rot. Bonds5

About 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid

2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid (PubChem CID 63072039) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid
PubChem CID63072039
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CCC(=O)N1
InChIInChI=1S/C11H18N2O4/c1-7(2)5-13(6-10(15)16)11(17)8-3-4-9(14)12-8/h7-8H,3-6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyYJZXJLZLOJBASE-UHFFFAOYSA-N
XLogP-0.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid (CID 63072039) is 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1CCC(=O)N1.
What is the InChIKey of 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid?
The InChIKey is YJZXJLZLOJBASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(2)5-13(6-10(15)16)11(17)8-3-4-9(14)12-8/h7-8H,3-6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid?
2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid has a molecular weight of 242.27 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 63072039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).