1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C12H20N4O3 — CID 96513072

IUPAC1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1N(C)C
InChIInChI=1S/C12H20N4O3/c1-8-4-15(5-9(8)14(2)3)11(18)7-16-6-10(17)13-12(16)19/h8-9H,4-7H2,1-3H3,(H,13,17,19)/t8-,9-/m0/s1
InChIKeySLKUSZQKGGGMFM-IUCAKERBSA-N
MW268.32 g/mol
LogP-1.05
Rot. Bonds3

About 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 96513072) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID96513072
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1N(C)C
InChIInChI=1S/C12H20N4O3/c1-8-4-15(5-9(8)14(2)3)11(18)7-16-6-10(17)13-12(16)19/h8-9H,4-7H2,1-3H3,(H,13,17,19)/t8-,9-/m0/s1
InChIKeySLKUSZQKGGGMFM-IUCAKERBSA-N
XLogP-1.05
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 96513072) is 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1N(C)C.
What is the InChIKey of 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is SLKUSZQKGGGMFM-IUCAKERBSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8-4-15(5-9(8)14(2)3)11(18)7-16-6-10(17)13-12(16)19/h8-9H,4-7H2,1-3H3,(H,13,17,19)/t8-,9-/m0/s1.
What are the key properties of 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of -1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 96513072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).