methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

C12H17NO8 — CID 101125095

IUPACmethyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](OC)[C@@H]3OCO[C@H]23)OC(=O)N1C
InChIInChI=1S/C12H17NO8/c1-13-5(10(14)16-2)6(21-12(13)15)8-7-9(19-4-18-7)11(17-3)20-8/h5-9,11H,4H2,1-3H3/t5-,6-,7+,8+,9+,11+/m0/s1
InChIKeyOATSUTIAHXMGDM-MVSHAXDASA-N
MW303.27 g/mol
LogP-0.91
Rot. Bonds3

About methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 101125095) has the molecular formula C12H17NO8 and a molecular weight of 303.27 g/mol. Its IUPAC name is methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID101125095
Molecular FormulaC12H17NO8
Molecular Weight303.27 g/mol
Exact Mass303.10
IUPAC Namemethyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](OC)[C@@H]3OCO[C@H]23)OC(=O)N1C
InChIInChI=1S/C12H17NO8/c1-13-5(10(14)16-2)6(21-12(13)15)8-7-9(19-4-18-7)11(17-3)20-8/h5-9,11H,4H2,1-3H3/t5-,6-,7+,8+,9+,11+/m0/s1
InChIKeyOATSUTIAHXMGDM-MVSHAXDASA-N
XLogP-0.91
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-1-[1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-ethoxy-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 76319482
methyl 2-(bis(tert-butoxycarbonyl)amino)-3-((3aR,4R,6R,6aS)-6-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)propanoate
CID 164889199
(2S,4R)-4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-2-tert-butyl-5-oxo-1,3-oxazolidine-3-carboxylic acid
CID 166693619
methyl (2R)-2-[(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10693985
methyl (2S)-2-[(3aR,4S,6R,6aS)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10812583
(4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 10892476
ethyl (3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-(dimethylamino)propanoate
CID 10892482
tert-butyl (4R,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 10915707
methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 10925585
tert-butyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 11003248
ethyl (3S)-3-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3-pyrrolidin-1-ylpropanoate
CID 11046153
methyl (4R,5R)-5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 11078066

Frequently Asked Questions

What is the IUPAC name of methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 101125095) is methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](OC)[C@@H]3OCO[C@H]23)OC(=O)N1C.
What is the InChIKey of methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is OATSUTIAHXMGDM-MVSHAXDASA-N. The full InChI is InChI=1S/C12H17NO8/c1-13-5(10(14)16-2)6(21-12(13)15)8-7-9(19-4-18-7)11(17-3)20-8/h5-9,11H,4H2,1-3H3/t5-,6-,7+,8+,9+,11+/m0/s1.
What are the key properties of methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 303.27 g/mol, XLogP of -0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5S)-5-[(3aR,4R,6R,6aR)-4-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 101125095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).