tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C16H27NO4 — CID 11500350

IUPACtert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C([C@H](O)C2=CCCC2)COC1(C)C
InChIInChI=1S/C16H27NO4/c1-15(2,3)21-14(19)17-12(10-20-16(17,4)5)13(18)11-8-6-7-9-11/h8,12-13,18H,6-7,9-10H2,1-5H3/t12?,13-/m1/s1
InChIKeyYOESUVWSXZCOEI-ZGTCLIOFSA-N
MW297.39 g/mol
LogP2.83
Rot. Bonds2

About tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11500350) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11500350
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Nametert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C([C@H](O)C2=CCCC2)COC1(C)C
InChIInChI=1S/C16H27NO4/c1-15(2,3)21-14(19)17-12(10-20-16(17,4)5)13(18)11-8-6-7-9-11/h8,12-13,18H,6-7,9-10H2,1-5H3/t12?,13-/m1/s1
InChIKeyYOESUVWSXZCOEI-ZGTCLIOFSA-N
XLogP2.83
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11500350) is tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C([C@H](O)C2=CCCC2)COC1(C)C.
What is the InChIKey of tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YOESUVWSXZCOEI-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H27NO4/c1-15(2,3)21-14(19)17-12(10-20-16(17,4)5)13(18)11-8-6-7-9-11/h8,12-13,18H,6-7,9-10H2,1-5H3/t12?,13-/m1/s1.
What are the key properties of tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 297.39 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(R)-cyclopenten-1-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11500350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).