[(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C20H29NO3 — CID 101001504

IUPAC[(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILES[2H][C@@H](c1ccccc1)[C@@H]1CCC[C@H]1OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C20H29NO3/c1-19(2)14-23-20(3,4)21(19)18(22)24-17-12-8-11-16(17)13-15-9-6-5-7-10-15/h5-7,9-10,16-17H,8,11-14H2,1-4H3/t16-,17+/m0/s1/i13D/t13-,16-,17+
InChIKeyMQLXSLJMMCMKNF-QAQIXVLRSA-N
MW332.46 g/mol
LogP4.38
Rot. Bonds3

About [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 101001504) has the molecular formula C20H29NO3 and a molecular weight of 332.46 g/mol. Its IUPAC name is [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID101001504
Molecular FormulaC20H29NO3
Molecular Weight332.46 g/mol
Exact Mass332.22
IUPAC Name[(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILES[2H][C@@H](c1ccccc1)[C@@H]1CCC[C@H]1OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C20H29NO3/c1-19(2)14-23-20(3,4)21(19)18(22)24-17-12-8-11-16(17)13-15-9-6-5-7-10-15/h5-7,9-10,16-17H,8,11-14H2,1-4H3/t16-,17+/m0/s1/i13D/t13-,16-,17+
InChIKeyMQLXSLJMMCMKNF-QAQIXVLRSA-N
XLogP4.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate 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 [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 101001504) is [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is [2H][C@@H](c1ccccc1)[C@@H]1CCC[C@H]1OC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is MQLXSLJMMCMKNF-QAQIXVLRSA-N. The full InChI is InChI=1S/C20H29NO3/c1-19(2)14-23-20(3,4)21(19)18(22)24-17-12-8-11-16(17)13-15-9-6-5-7-10-15/h5-7,9-10,16-17H,8,11-14H2,1-4H3/t16-,17+/m0/s1/i13D/t13-,16-,17+.
What are the key properties of [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 332.46 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(R)-deuterio(phenyl)methyl]cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101001504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).