4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride

C10H17ClN2O3 — CID 138373782

IUPAC4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride
SMILESCl.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])C(=O)NC(=O)C1C(=O)CCCN
InChIInChI=1S/C10H16N2O3.ClH/c1-10(2)7(6(13)4-3-5-11)8(14)12-9(10)15;/h7H,3-5,11H2,1-2H3,(H,12,14,15);1H/i1D3,2D3;
InChIKeyUTJCEEFSRIIELM-TXHXQZCNSA-N
MW254.75 g/mol
LogP0.01
Rot. Bonds6

About 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride

4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride (PubChem CID 138373782) has the molecular formula C10H17ClN2O3 and a molecular weight of 254.75 g/mol. Its IUPAC name is 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride
PubChem CID138373782
Molecular FormulaC10H17ClN2O3
Molecular Weight254.75 g/mol
Exact Mass254.13
IUPAC Name4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride
SMILESCl.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])C(=O)NC(=O)C1C(=O)CCCN
InChIInChI=1S/C10H16N2O3.ClH/c1-10(2)7(6(13)4-3-5-11)8(14)12-9(10)15;/h7H,3-5,11H2,1-2H3,(H,12,14,15);1H/i1D3,2D3;
InChIKeyUTJCEEFSRIIELM-TXHXQZCNSA-N
XLogP0.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride (CID 138373782) is 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride is Cl.[2H]C([2H])([2H])C1(C([2H])([2H])[2H])C(=O)NC(=O)C1C(=O)CCCN.
What is the InChIKey of 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is UTJCEEFSRIIELM-TXHXQZCNSA-N. The full InChI is InChI=1S/C10H16N2O3.ClH/c1-10(2)7(6(13)4-3-5-11)8(14)12-9(10)15;/h7H,3-5,11H2,1-2H3,(H,12,14,15);1H/i1D3,2D3;.
What are the key properties of 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride?
4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 254.75 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutanoyl)-3,3-bis(trideuteriomethyl)pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 138373782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).