methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate

C13H22N2O4 — CID 78981696

IUPACmethyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C13H22N2O4/c1-9(2)8-15(5-4-12(17)19-3)13(18)10-6-11(16)14-7-10/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyRVQSBUKWVVUHCT-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.17
Rot. Bonds6

About methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate

methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate (PubChem CID 78981696) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
PubChem CID78981696
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C13H22N2O4/c1-9(2)8-15(5-4-12(17)19-3)13(18)10-6-11(16)14-7-10/h9-10H,4-8H2,1-3H3,(H,14,16)
InChIKeyRVQSBUKWVVUHCT-UHFFFAOYSA-N
XLogP0.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate (CID 78981696) is methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate is COC(=O)CCN(CC(C)C)C(=O)C1CNC(=O)C1.
What is the InChIKey of methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate?
The InChIKey is RVQSBUKWVVUHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(2)8-15(5-4-12(17)19-3)13(18)10-6-11(16)14-7-10/h9-10H,4-8H2,1-3H3,(H,14,16).
What are the key properties of methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate?
methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate has a molecular weight of 270.33 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methylpropyl-(5-oxopyrrolidine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 78981696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).