methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate

C9H17NO3 — CID 170288420

IUPACmethyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C
InChIInChI=1S/C9H17NO3/c1-6-7(8(11)12-5)10(4)9(2,3)13-6/h6-7H,1-5H3/t6-,7-/m1/s1
InChIKeyAINIHWDDNKJNID-RNFRBKRXSA-N
MW187.24 g/mol
LogP0.61
Rot. Bonds1

About methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate

methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate (PubChem CID 170288420) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate
PubChem CID170288420
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C
InChIInChI=1S/C9H17NO3/c1-6-7(8(11)12-5)10(4)9(2,3)13-6/h6-7H,1-5H3/t6-,7-/m1/s1
InChIKeyAINIHWDDNKJNID-RNFRBKRXSA-N
XLogP0.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (4R,5R)-2,2,3,5-tetramethyl-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

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate (CID 170288420) is methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@H]1[C@@H](C)OC(C)(C)N1C.
What is the InChIKey of methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is AINIHWDDNKJNID-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6-7(8(11)12-5)10(4)9(2,3)13-6/h6-7H,1-5H3/t6-,7-/m1/s1.
What are the key properties of methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate?
methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R)-2,2,3,5-tetramethyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 170288420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).