tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid

C11H21NO3 — CID 69297604

IUPACtert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H21NO3/c1-11(2,3)12(10(14)15)8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyONSZMQUQDHPENL-BDAKNGLRSA-N
MW215.29 g/mol
LogP2.07
Rot. Bonds1

About tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid

tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid (PubChem CID 69297604) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid
PubChem CID69297604
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H21NO3/c1-11(2,3)12(10(14)15)8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+/m1/s1
InChIKeyONSZMQUQDHPENL-BDAKNGLRSA-N
XLogP2.07
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid?
The IUPAC name of tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid (CID 69297604) is tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid?
The InChIKey is ONSZMQUQDHPENL-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)12(10(14)15)8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid?
tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid has a molecular weight of 215.29 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid is sourced from PubChem (CID 69297604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).