4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one

C15H25N3O3 — CID 69252460

IUPAC4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one
SMILESC=C1C[C@@H](C(=O)N2CC(O)C2)N(C(=O)CCCN(C)C)C1
InChIInChI=1S/C15H25N3O3/c1-11-7-13(15(21)17-9-12(19)10-17)18(8-11)14(20)5-4-6-16(2)3/h12-13,19H,1,4-10H2,2-3H3/t13-/m0/s1
InChIKeyDVNBYCHKMPBWCJ-ZDUSSCGKSA-N
MW295.38 g/mol
LogP-0.31
Rot. Bonds5

About 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one

4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one (PubChem CID 69252460) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one
PubChem CID69252460
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one
SMILESC=C1C[C@@H](C(=O)N2CC(O)C2)N(C(=O)CCCN(C)C)C1
InChIInChI=1S/C15H25N3O3/c1-11-7-13(15(21)17-9-12(19)10-17)18(8-11)14(20)5-4-6-16(2)3/h12-13,19H,1,4-10H2,2-3H3/t13-/m0/s1
InChIKeyDVNBYCHKMPBWCJ-ZDUSSCGKSA-N
XLogP-0.31
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one 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 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one (CID 69252460) is 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one is C=C1C[C@@H](C(=O)N2CC(O)C2)N(C(=O)CCCN(C)C)C1.
What is the InChIKey of 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one?
The InChIKey is DVNBYCHKMPBWCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-11-7-13(15(21)17-9-12(19)10-17)18(8-11)14(20)5-4-6-16(2)3/h12-13,19H,1,4-10H2,2-3H3/t13-/m0/s1.
What are the key properties of 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one?
4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one has a molecular weight of 295.38 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[(2S)-2-(3-hydroxyazetidine-1-carbonyl)-4-methylidenepyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 69252460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).