3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea

C14H23N3O4 — CID 164637046

IUPAC3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea
SMILESCC(C)N1C(=O)C[C@H](NC(=O)N(C)C2CCOCC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-9(2)17-12(18)8-11(13(17)19)15-14(20)16(3)10-4-6-21-7-5-10/h9-11H,4-8H2,1-3H3,(H,15,20)/t11-/m0/s1
InChIKeyFQICKKOQLULBGC-NSHDSACASA-N
MW297.36 g/mol
LogP0.34
Rot. Bonds3

About 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea

3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea (PubChem CID 164637046) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea.

Molecular Properties

Compound Name3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea
PubChem CID164637046
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea
SMILESCC(C)N1C(=O)C[C@H](NC(=O)N(C)C2CCOCC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-9(2)17-12(18)8-11(13(17)19)15-14(20)16(3)10-4-6-21-7-5-10/h9-11H,4-8H2,1-3H3,(H,15,20)/t11-/m0/s1
InChIKeyFQICKKOQLULBGC-NSHDSACASA-N
XLogP0.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea?
The IUPAC name of 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea (CID 164637046) is 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea.
What is the SMILES notation for 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea?
The canonical SMILES for 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea is CC(C)N1C(=O)C[C@H](NC(=O)N(C)C2CCOCC2)C1=O.
What is the InChIKey of 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea?
The InChIKey is FQICKKOQLULBGC-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9(2)17-12(18)8-11(13(17)19)15-14(20)16(3)10-4-6-21-7-5-10/h9-11H,4-8H2,1-3H3,(H,15,20)/t11-/m0/s1.
What are the key properties of 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea?
3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea has a molecular weight of 297.36 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-methyl-1-(oxan-4-yl)urea is sourced from PubChem (CID 164637046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).