(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione

C11H19N3O3 — CID 59681896

IUPAC(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione
SMILESCNN1C(=O)[C@@H](C(=O)[C@@H](N)C(C)C)[C@H](C)C1=O
InChIInChI=1S/C11H19N3O3/c1-5(2)8(12)9(15)7-6(3)10(16)14(13-4)11(7)17/h5-8,13H,12H2,1-4H3/t6-,7+,8-/m0/s1
InChIKeySQTVAXHUNKYBPS-RNJXMRFFSA-N
MW241.29 g/mol
LogP-0.71
Rot. Bonds4

About (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione

(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione (PubChem CID 59681896) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione
PubChem CID59681896
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione
SMILESCNN1C(=O)[C@@H](C(=O)[C@@H](N)C(C)C)[C@H](C)C1=O
InChIInChI=1S/C11H19N3O3/c1-5(2)8(12)9(15)7-6(3)10(16)14(13-4)11(7)17/h5-8,13H,12H2,1-4H3/t6-,7+,8-/m0/s1
InChIKeySQTVAXHUNKYBPS-RNJXMRFFSA-N
XLogP-0.71
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione (CID 59681896) is (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione is CNN1C(=O)[C@@H](C(=O)[C@@H](N)C(C)C)[C@H](C)C1=O.
What is the InChIKey of (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione?
The InChIKey is SQTVAXHUNKYBPS-RNJXMRFFSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5(2)8(12)9(15)7-6(3)10(16)14(13-4)11(7)17/h5-8,13H,12H2,1-4H3/t6-,7+,8-/m0/s1.
What are the key properties of (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione?
(3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione has a molecular weight of 241.29 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(2S)-2-amino-3-methylbutanoyl]-4-methyl-1-(methylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 59681896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).