[(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate

C13H25NO4 — CID 143487068

IUPAC[(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H](CO)C[C@H]1CCCOC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)14-12(16)18-11(8-15)7-10-5-4-6-17-9-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyWOCAGMJKKRCDBH-GHMZBOCLSA-N
MW259.35 g/mol
LogP1.69
Rot. Bonds4

About [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate

[(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate (PubChem CID 143487068) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate
PubChem CID143487068
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name[(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H](CO)C[C@H]1CCCOC1
InChIInChI=1S/C13H25NO4/c1-13(2,3)14-12(16)18-11(8-15)7-10-5-4-6-17-9-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyWOCAGMJKKRCDBH-GHMZBOCLSA-N
XLogP1.69
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-5-(hydroxymethyl)oxan-2-yl]methyl N-tert-butylcarbamate
CID 90728086
[2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123415309
[(3R,4S)-4-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123515696
[(2S,3S)-2-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123643191
[4-(hydroxymethyl)oxan-3-yl] N-tert-butylcarbamate
CID 123763164
[(2R)-1-cyclobutyl-3-hydroxypropan-2-yl] N-tert-butylcarbamate
CID 141503308
[(2S)-1-[(2S,6S)-2,6-dimethyloxan-4-yl]-3-hydroxypropan-2-yl] carbamate
CID 145738944
[2-hydroxy-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethyl] N-tert-butylcarbamate
CID 168083488
[1-hydroxy-3-[1-(hydroxymethyl)cyclobutyl]propan-2-yl] N-tert-butylcarbamate
CID 174487792
(1-cyclohexyl-3,4-dihydroxybutan-2-yl) N-tert-butylcarbamate
CID 174498992
[(2S)-1-hydroxy-3-(oxan-2-yl)propan-2-yl] N-tert-butylcarbamate
CID 174735914

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate (CID 143487068) is [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H](CO)C[C@H]1CCCOC1.
What is the InChIKey of [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate?
The InChIKey is WOCAGMJKKRCDBH-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,3)14-12(16)18-11(8-15)7-10-5-4-6-17-9-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate?
[(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate has a molecular weight of 259.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-3-[(3R)-oxan-3-yl]propan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 143487068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).