tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H25NO4 — CID 134884658

IUPACtert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC=C=C[C@@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-7-8-9-12(17)11-10-19-15(5,6)16(11)13(18)20-14(2,3)4/h7,9,11-12,17H,10H2,1-6H3/t8?,11-,12+/m0/s1
InChIKeyFAGBECLHLDLCPL-DAPPQGSGSA-N
MW283.37 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134884658) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134884658
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC=C=C[C@@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO4/c1-7-8-9-12(17)11-10-19-15(5,6)16(11)13(18)20-14(2,3)4/h7,9,11-12,17H,10H2,1-6H3/t8?,11-,12+/m0/s1
InChIKeyFAGBECLHLDLCPL-DAPPQGSGSA-N
XLogP2.45
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-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)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134884658) is tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC=C=C[C@@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FAGBECLHLDLCPL-DAPPQGSGSA-N. The full InChI is InChI=1S/C15H25NO4/c1-7-8-9-12(17)11-10-19-15(5,6)16(11)13(18)20-14(2,3)4/h7,9,11-12,17H,10H2,1-6H3/t8?,11-,12+/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1R)-1-hydroxypenta-2,3-dienyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134884658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).