tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H25NO4 — CID 134838080

IUPACtert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@H]2C=C[C@@H](O)C2)COC1(C)C
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-12(9-19-15(16,4)5)10-6-7-11(17)8-10/h6-7,10-12,17H,8-9H2,1-5H3/t10-,11+,12-/m0/s1
InChIKeyJJDLOFALOVYDCW-TUAOUCFPSA-N
MW283.37 g/mol
LogP2.30
Rot. Bonds1

About tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134838080) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134838080
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nametert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@H]2C=C[C@@H](O)C2)COC1(C)C
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-12(9-19-15(16,4)5)10-6-7-11(17)8-10/h6-7,10-12,17H,8-9H2,1-5H3/t10-,11+,12-/m0/s1
InChIKeyJJDLOFALOVYDCW-TUAOUCFPSA-N
XLogP2.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4R)-4-[(1R,4S)-4-acetyloxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101554967
tert-butyl (4R)-4-[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101554968
tert-butyl (4R)-4-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134838196
(S)-tert-Butyl 4-((R)-2-(hydroxymethyl)pent-4-en-1-yl)-2,2-dimethyloxazolidine-3-carboxylate
CID 58011478
Tert-butyl 4-[2-(hydroxymethyl)pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59201416
(S)-tert-butyl 2,2-dimethyl-4-(((R,Z)-2,3,4,7-tetrahydrooxepin-3-yl)methyl)oxazolidine-3-carboxylate
CID 59201476
tert-butyl 4-[(2R)-2-(hydroxymethyl)pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67253127
tert-butyl 4-[(2S)-2-(hydroxymethyl)pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67253130
tert-butyl 2,2-dimethyl-4-[[(3R)-2,3,4,7-tetrahydrooxepin-3-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 68715652
Tert-butyl 2,2-dimethyl-4-(2,3,4,7-tetrahydrooxepin-3-ylmethyl)-1,3-oxazolidine-3-carboxylate
CID 68715656
butyl 4-[(2R)-2-(hydroxymethyl)pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69261966
butyl 4-[(2S)-2-(hydroxymethyl)pent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 69261972

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134838080) is tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H]([C@H]2C=C[C@@H](O)C2)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JJDLOFALOVYDCW-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2,3)20-13(18)16-12(9-19-15(16,4)5)10-6-7-11(17)8-10/h6-7,10-12,17H,8-9H2,1-5H3/t10-,11+,12-/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134838080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).