benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate

C14H19NO3 — CID 14785670

IUPACbenzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate
SMILESO=C(N[C@@H]1CCCC[C@H]1O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,15,17)/t12-,13-/m1/s1
InChIKeyIDQLGJJPYSFXPM-CHWSQXEVSA-N
MW249.31 g/mol
LogP2.22
Rot. Bonds3

About benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate

benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate (PubChem CID 14785670) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate
PubChem CID14785670
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate
SMILESO=C(N[C@@H]1CCCC[C@H]1O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,15,17)/t12-,13-/m1/s1
InChIKeyIDQLGJJPYSFXPM-CHWSQXEVSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate (CID 14785670) is benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate is O=C(N[C@@H]1CCCC[C@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate?
The InChIKey is IDQLGJJPYSFXPM-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13-9-5-4-8-12(13)15-14(17)18-10-11-6-2-1-3-7-11/h1-3,6-7,12-13,16H,4-5,8-10H2,(H,15,17)/t12-,13-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate?
benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 14785670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).