2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid

C20H32N2O8 — CID 67364571

IUPAC2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid
SMILESC[C@@H]1COC(=O)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)CC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C20H32N2O8/c1-12-10-28-18(27)21(12)16(24)13(7-8-15(23)30-19(2,3)4)9-14-11-29-20(5,6)22(14)17(25)26/h12-14H,7-11H2,1-6H3,(H,25,26)/t12-,13-,14?/m1/s1
InChIKeyZWMGZJOMMHJIFZ-ZFXTZCCVSA-N
MW428.48 g/mol
LogP2.60
Rot. Bonds6

About 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid

2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid (PubChem CID 67364571) has the molecular formula C20H32N2O8 and a molecular weight of 428.48 g/mol. Its IUPAC name is 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid
PubChem CID67364571
Molecular FormulaC20H32N2O8
Molecular Weight428.48 g/mol
Exact Mass428.22
IUPAC Name2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid
SMILESC[C@@H]1COC(=O)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)CC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C20H32N2O8/c1-12-10-28-18(27)21(12)16(24)13(7-8-15(23)30-19(2,3)4)9-14-11-29-20(5,6)22(14)17(25)26/h12-14H,7-11H2,1-6H3,(H,25,26)/t12-,13-,14?/m1/s1
InChIKeyZWMGZJOMMHJIFZ-ZFXTZCCVSA-N
XLogP2.60
TPSA122.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid (CID 67364571) is 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid is C[C@@H]1COC(=O)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)CC1COC(C)(C)N1C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is ZWMGZJOMMHJIFZ-ZFXTZCCVSA-N. The full InChI is InChI=1S/C20H32N2O8/c1-12-10-28-18(27)21(12)16(24)13(7-8-15(23)30-19(2,3)4)9-14-11-29-20(5,6)22(14)17(25)26/h12-14H,7-11H2,1-6H3,(H,25,26)/t12-,13-,14?/m1/s1.
What are the key properties of 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid?
2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 428.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[(2R)-2-[(4R)-4-methyl-2-oxo-1,3-oxazolidine-3-carbonyl]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 67364571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).