(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one

C16H21NO4 — CID 100992254

IUPAC(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one
SMILESC[C@H]1C(=O)N(OCc2ccccc2)[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C16H21NO4/c1-11-14(13-10-19-16(2,3)21-13)17(15(11)18)20-9-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyRKLSPADLBXNFKQ-XBFCOCLRSA-N
MW291.35 g/mol
LogP2.12
Rot. Bonds4

About (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one

(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one (PubChem CID 100992254) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one
PubChem CID100992254
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one
SMILESC[C@H]1C(=O)N(OCc2ccccc2)[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C16H21NO4/c1-11-14(13-10-19-16(2,3)21-13)17(15(11)18)20-9-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13+,14+/m1/s1
InChIKeyRKLSPADLBXNFKQ-XBFCOCLRSA-N
XLogP2.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-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 (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one (CID 100992254) is (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one is C[C@H]1C(=O)N(OCc2ccccc2)[C@@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one?
The InChIKey is RKLSPADLBXNFKQ-XBFCOCLRSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-14(13-10-19-16(2,3)21-13)17(15(11)18)20-9-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3/t11-,13+,14+/m1/s1.
What are the key properties of (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one?
(3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methyl-1-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 100992254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).