tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate

C14H27NO3 — CID 10729858

IUPACtert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-10(2)8-11-9-17-14(6,7)15(11)12(16)18-13(3,4)5/h10-11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyAPVYGJBZRSHTGR-NSHDSACASA-N
MW257.37 g/mol
LogP3.40
Rot. Bonds2

About tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 10729858) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
PubChem CID10729858
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-10(2)8-11-9-17-14(6,7)15(11)12(16)18-13(3,4)5/h10-11H,8-9H2,1-7H3/t11-/m0/s1
InChIKeyAPVYGJBZRSHTGR-NSHDSACASA-N
XLogP3.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-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 tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate (CID 10729858) is tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate is CC(C)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is APVYGJBZRSHTGR-NSHDSACASA-N. The full InChI is InChI=1S/C14H27NO3/c1-10(2)8-11-9-17-14(6,7)15(11)12(16)18-13(3,4)5/h10-11H,8-9H2,1-7H3/t11-/m0/s1.
What are the key properties of tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2,2-dimethyl-4-(2-methylpropyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10729858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).