tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate

C13H23NO4 — CID 129167736

IUPACtert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C(C2CCC2)OC[C@@H]1O
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-10-9(15)7-17-11(10)8-5-4-6-8/h8-11,15H,4-7H2,1-3H3,(H,14,16)/t9-,10+,11?/m0/s1
InChIKeyJGWZWHNBDCSHSO-MTULOOOASA-N
MW257.33 g/mol
LogP1.44
Rot. Bonds2

About tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate

tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate (PubChem CID 129167736) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate
PubChem CID129167736
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C(C2CCC2)OC[C@@H]1O
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-10-9(15)7-17-11(10)8-5-4-6-8/h8-11,15H,4-7H2,1-3H3,(H,14,16)/t9-,10+,11?/m0/s1
InChIKeyJGWZWHNBDCSHSO-MTULOOOASA-N
XLogP1.44
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1R,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 98052973
tert-butyl N-[(1S,5R)-9-amino-3-bicyclo[3.3.1]nonanyl]carbamate
CID 25324125
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955
(1S,2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 135397107
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]hept-3-enyl]carbamate
CID 124748419
tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
CID 70952812

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate (CID 129167736) is tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C(C2CCC2)OC[C@@H]1O.
What is the InChIKey of tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate?
The InChIKey is JGWZWHNBDCSHSO-MTULOOOASA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-10-9(15)7-17-11(10)8-5-4-6-8/h8-11,15H,4-7H2,1-3H3,(H,14,16)/t9-,10+,11?/m0/s1.
What are the key properties of tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate?
tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-2-cyclobutyl-4-hydroxyoxolan-3-yl]carbamate is sourced from PubChem (CID 129167736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).