tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate

C14H25NO4 — CID 10683531

IUPACtert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(O)C1CCCCC1=O
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-9-14(4,18)10-7-5-6-8-11(10)16/h10,18H,5-9H2,1-4H3,(H,15,17)
InChIKeyCDVJXOPXXWDPOT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.02
Rot. Bonds3

About tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate

tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate (PubChem CID 10683531) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate
PubChem CID10683531
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(O)C1CCCCC1=O
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-9-14(4,18)10-7-5-6-8-11(10)16/h10,18H,5-9H2,1-4H3,(H,15,17)
InChIKeyCDVJXOPXXWDPOT-UHFFFAOYSA-N
XLogP2.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one
CID 14936116
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tert-butyl N-[[(1S,5R)-4-oxo-1-bicyclo[3.2.0]heptanyl]methyl]carbamate
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tert-butyl N-(cyclobutylmethyl)carbamate
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tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(1S)-2-oxocyclohexyl]butanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate (CID 10683531) is tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate is CC(C)(C)OC(=O)NCC(C)(O)C1CCCCC1=O.
What is the InChIKey of tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate?
The InChIKey is CDVJXOPXXWDPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-9-14(4,18)10-7-5-6-8-11(10)16/h10,18H,5-9H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate?
tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-2-(2-oxocyclohexyl)propyl]carbamate is sourced from PubChem (CID 10683531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).