(3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione

C12H18N2O3 — CID 59681991

IUPAC(3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)NC(=O)[C@H]1C(=O)C(N)C1CCCC1
InChIInChI=1S/C12H18N2O3/c1-6-8(12(17)14-11(6)16)10(15)9(13)7-4-2-3-5-7/h6-9H,2-5,13H2,1H3,(H,14,16,17)/t6-,8+,9?/m0/s1
InChIKeyNTUKQXXAIXAOSR-DZESUTGNSA-N
MW238.29 g/mol
LogP-0.02
Rot. Bonds3

About (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione

(3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione (PubChem CID 59681991) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione
PubChem CID59681991
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1C(=O)NC(=O)[C@H]1C(=O)C(N)C1CCCC1
InChIInChI=1S/C12H18N2O3/c1-6-8(12(17)14-11(6)16)10(15)9(13)7-4-2-3-5-7/h6-9H,2-5,13H2,1H3,(H,14,16,17)/t6-,8+,9?/m0/s1
InChIKeyNTUKQXXAIXAOSR-DZESUTGNSA-N
XLogP-0.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.02
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 (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione (CID 59681991) is (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione is C[C@@H]1C(=O)NC(=O)[C@H]1C(=O)C(N)C1CCCC1.
What is the InChIKey of (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione?
The InChIKey is NTUKQXXAIXAOSR-DZESUTGNSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-6-8(12(17)14-11(6)16)10(15)9(13)7-4-2-3-5-7/h6-9H,2-5,13H2,1H3,(H,14,16,17)/t6-,8+,9?/m0/s1.
What are the key properties of (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione?
(3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione has a molecular weight of 238.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(2-amino-2-cyclopentylacetyl)-4-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 59681991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).