methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate

C12H20N2O4 — CID 65301393

IUPACmethyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)(N)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C12H20N2O4/c1-11(2)7-8(15)14(9(11)16)6-5-12(3,13)10(17)18-4/h5-7,13H2,1-4H3
InChIKeyNHJWOTZDHIGJQS-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.05
Rot. Bonds4

About methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate

methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate (PubChem CID 65301393) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate
PubChem CID65301393
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)(N)CCN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C12H20N2O4/c1-11(2)7-8(15)14(9(11)16)6-5-12(3,13)10(17)18-4/h5-7,13H2,1-4H3
InChIKeyNHJWOTZDHIGJQS-UHFFFAOYSA-N
XLogP0.05
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate?
The IUPAC name of methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate (CID 65301393) is methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate?
The canonical SMILES for methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate is COC(=O)C(C)(N)CCN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate?
The InChIKey is NHJWOTZDHIGJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(2)7-8(15)14(9(11)16)6-5-12(3,13)10(17)18-4/h5-7,13H2,1-4H3.
What are the key properties of methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate?
methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate has a molecular weight of 256.30 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanoate is sourced from PubChem (CID 65301393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).