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

C15H29NO4 — CID 101179995

IUPACtert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCC[C@@](C)(O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-8-9-15(7,18)11-10-19-14(5,6)16(11)12(17)20-13(2,3)4/h11,18H,8-10H2,1-7H3/t11-,15-/m1/s1
InChIKeyKQHLVOHPZNTRLC-IAQYHMDHSA-N
MW287.40 g/mol
LogP2.91
Rot. Bonds3

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

tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 101179995) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID101179995
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nametert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCC[C@@](C)(O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO4/c1-8-9-15(7,18)11-10-19-14(5,6)16(11)12(17)20-13(2,3)4/h11,18H,8-10H2,1-7H3/t11-,15-/m1/s1
InChIKeyKQHLVOHPZNTRLC-IAQYHMDHSA-N
XLogP2.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-(hydroxymethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 17859451
3-((2S,4S)-1-(tert-butoxycarbonyl)-4-fluoro-2-pyrrolidinylmethoxy)propanol
CID 67406438
tert-butyl (4S)-4-[(2R)-3-hydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10754739
tert-butyl (4R)-4-[(2R)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11425794
tert-butyl (3S)-3-(hydroxymethyl)-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 42605341
tert-butyl (2S,3S,4S,5S)-4-hydroxy-2,3-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 100932987
tert-butyl (4R)-4-[(1R,2S)-1,3-dihydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102253844
tert-butyl (4R)-4-[(1S)-1-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 124491573
tert-butyl (4R)-4-[(1R)-1-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 124491574
tert-butyl (4S)-4-[(1R,2R)-1,3-dihydroxy-2-methylpropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134833542
tert-butyl (3R)-3-[(1S)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930681
tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930682

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 101179995) is tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCC[C@@](C)(O)[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KQHLVOHPZNTRLC-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H29NO4/c1-8-9-15(7,18)11-10-19-14(5,6)16(11)12(17)20-13(2,3)4/h11,18H,8-10H2,1-7H3/t11-,15-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(2R)-2-hydroxypentan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101179995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).