(3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione

C14H23N3O3 — CID 59681905

IUPAC(3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(N(C)C)C(=O)[C@H]1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C14H23N3O3/c1-8-10(14(20)17(13(8)19)16(2)3)12(18)11(15)9-6-4-5-7-9/h8-11H,4-7,15H2,1-3H3/t8-,10+,11-/m0/s1
InChIKeyMMPZGIXLZNOJHE-GDPRMGEGSA-N
MW281.36 g/mol
LogP0.17
Rot. Bonds4

About (3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione

(3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione (PubChem CID 59681905) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione
PubChem CID59681905
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)N(N(C)C)C(=O)[C@H]1C(=O)[C@@H](N)C1CCCC1
InChIInChI=1S/C14H23N3O3/c1-8-10(14(20)17(13(8)19)16(2)3)12(18)11(15)9-6-4-5-7-9/h8-11H,4-7,15H2,1-3H3/t8-,10+,11-/m0/s1
InChIKeyMMPZGIXLZNOJHE-GDPRMGEGSA-N
XLogP0.17
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
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-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione (CID 59681905) is (3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione is C[C@@H]1C(=O)N(N(C)C)C(=O)[C@H]1C(=O)[C@@H](N)C1CCCC1.
What is the InChIKey of (3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione?
The InChIKey is MMPZGIXLZNOJHE-GDPRMGEGSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-8-10(14(20)17(13(8)19)16(2)3)12(18)11(15)9-6-4-5-7-9/h8-11H,4-7,15H2,1-3H3/t8-,10+,11-/m0/s1.
What are the key properties of (3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione?
(3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione has a molecular weight of 281.36 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(2S)-2-amino-2-cyclopentylacetyl]-1-(dimethylamino)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 59681905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).