methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate

C16H22N2O8 — CID 102148802

IUPACmethyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]2C[C@@H](C(=O)N3CCOC3=O)ON12
InChIInChI=1S/C16H22N2O8/c1-16(2)24-12-8-6-10(14(20)17-4-5-23-15(17)21)26-18(8)9(13(12)25-16)7-11(19)22-3/h8-10,12-13H,4-7H2,1-3H3/t8-,9+,10-,12-,13+/m0/s1
InChIKeySGZFZIABRQPGLE-CWUQZGLOSA-N
MW370.36 g/mol
LogP-0.19
Rot. Bonds3

About methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate

methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate (PubChem CID 102148802) has the molecular formula C16H22N2O8 and a molecular weight of 370.36 g/mol. Its IUPAC name is methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate
PubChem CID102148802
Molecular FormulaC16H22N2O8
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Namemethyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate
SMILESCOC(=O)C[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]2C[C@@H](C(=O)N3CCOC3=O)ON12
InChIInChI=1S/C16H22N2O8/c1-16(2)24-12-8-6-10(14(20)17-4-5-23-15(17)21)26-18(8)9(13(12)25-16)7-11(19)22-3/h8-10,12-13H,4-7H2,1-3H3/t8-,9+,10-,12-,13+/m0/s1
InChIKeySGZFZIABRQPGLE-CWUQZGLOSA-N
XLogP-0.19
TPSA103.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate 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

methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 12032170
cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
CID 134922721
methyl 2-(2,2,6-trimethyl-1,3-dioxan-4-yl)acetate
CID 85404971
methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate
CID 66112828
3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one
CID 11821202
methyl 2-[6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11253244
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-(2,2-dimethylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
CID 122225985
ethyl 2-[(3aS,4R,8R,8aS)-5,7-bis(cyclopropylmethyl)-4-(2-ethoxy-2-oxoethyl)-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-8-yl]acetate
CID 10647909
methyl (1R,2R)-5-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclohex-3-ene-1-carboxylate
CID 134963855
methyl 2-[(4S,6S)-2,2,6-trimethyl-5-oxo-1,3-dioxan-4-yl]acetate
CID 101194926
methyl 2-[(3aR,4R,6R,6aS)-4-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetate
CID 10868575

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate?
The IUPAC name of methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate (CID 102148802) is methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate.
What is the SMILES notation for methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate?
The canonical SMILES for methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate is COC(=O)C[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]2C[C@@H](C(=O)N3CCOC3=O)ON12.
What is the InChIKey of methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate?
The InChIKey is SGZFZIABRQPGLE-CWUQZGLOSA-N. The full InChI is InChI=1S/C16H22N2O8/c1-16(2)24-12-8-6-10(14(20)17-4-5-23-15(17)21)26-18(8)9(13(12)25-16)7-11(19)22-3/h8-10,12-13H,4-7H2,1-3H3/t8-,9+,10-,12-,13+/m0/s1.
What are the key properties of methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate?
methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate has a molecular weight of 370.36 g/mol, XLogP of -0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,2S,6R,7R,10S)-4,4-dimethyl-10-(2-oxo-1,3-oxazolidine-3-carbonyl)-3,5,9-trioxa-8-azatricyclo[6.3.0.02,6]undecan-7-yl]acetate is sourced from PubChem (CID 102148802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).