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

C14H21NO8 — CID 10925585

IUPACmethyl (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
SMILESCOC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)OC(=O)N1C
InChIInChI=1S/C14H21NO8/c1-14(2)22-9-8(20-12(19-5)10(9)23-14)7-6(11(16)18-4)15(3)13(17)21-7/h6-10,12H,1-5H3/t6-,7-,8+,9+,10+,12+/m0/s1
InChIKeyGKTPPLAMMVAGEN-AFSHHHFMSA-N
MW331.32 g/mol
LogP-0.13
Rot. Bonds3

About 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

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 (PubChem CID 10925585) has the molecular formula C14H21NO8 and a molecular weight of 331.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (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
PubChem CID10925585
Molecular FormulaC14H21NO8
Molecular Weight331.32 g/mol
Exact Mass331.13
IUPAC Namemethyl (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
SMILESCOC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)OC(=O)N1C
InChIInChI=1S/C14H21NO8/c1-14(2)22-9-8(20-12(19-5)10(9)23-14)7-6(11(16)18-4)15(3)13(17)21-7/h6-10,12H,1-5H3/t6-,7-,8+,9+,10+,12+/m0/s1
InChIKeyGKTPPLAMMVAGEN-AFSHHHFMSA-N
XLogP-0.13
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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
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
ethyl (2R,3R)-3-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[formyl(methyl)amino]-3-hydroxypropanoate
CID 11727728

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)[C@@H]1[C@@H]([C@H]2O[C@@H](OC)[C@@H]3OC(C)(C)O[C@H]23)OC(=O)N1C.
What is the InChIKey of 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?
The InChIKey is GKTPPLAMMVAGEN-AFSHHHFMSA-N. The full InChI is InChI=1S/C14H21NO8/c1-14(2)22-9-8(20-12(19-5)10(9)23-14)7-6(11(16)18-4)15(3)13(17)21-7/h6-10,12H,1-5H3/t6-,7-,8+,9+,10+,12+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 331.32 g/mol, XLogP of -0.13, 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-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 is sourced from PubChem (CID 10925585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).