tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate

C14H24N2O4 — CID 11055202

IUPACtert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC([C@@H]2NC(=O)[C@@H]2O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-9-6-4-8(5-7-9)10-11(17)12(18)16-10/h8-11,17H,4-7H2,1-3H3,(H,15,19)(H,16,18)/t8?,9?,10-,11+/m0/s1
InChIKeyYCRKTSATDJMODS-WFBLGPOFSA-N
MW284.36 g/mol
LogP0.93
Rot. Bonds2

About tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate

tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate (PubChem CID 11055202) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate
PubChem CID11055202
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC([C@@H]2NC(=O)[C@@H]2O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-9-6-4-8(5-7-9)10-11(17)12(18)16-10/h8-11,17H,4-7H2,1-3H3,(H,15,19)(H,16,18)/t8?,9?,10-,11+/m0/s1
InChIKeyYCRKTSATDJMODS-WFBLGPOFSA-N
XLogP0.93
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[4-[(1R,2S)-2-aminocyclopropyl]cyclohexyl]carbamate
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[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
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tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
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tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
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tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate (CID 11055202) is tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC([C@@H]2NC(=O)[C@@H]2O)CC1.
What is the InChIKey of tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate?
The InChIKey is YCRKTSATDJMODS-WFBLGPOFSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)15-9-6-4-8(5-7-9)10-11(17)12(18)16-10/h8-11,17H,4-7H2,1-3H3,(H,15,19)(H,16,18)/t8?,9?,10-,11+/m0/s1.
What are the key properties of tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate?
tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 11055202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).