[(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate

C11H19NO3 — CID 11424413

IUPAC[(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate
SMILESO=C(O[C@@H]1CCCC[C@@H]1O)N1CCCC1
InChIInChI=1S/C11H19NO3/c13-9-5-1-2-6-10(9)15-11(14)12-7-3-4-8-12/h9-10,13H,1-8H2/t9-,10+/m0/s1
InChIKeyPKNFZEMZVABKRU-VHSXEESVSA-N
MW213.28 g/mol
LogP1.52
Rot. Bonds1

About [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate

[(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate (PubChem CID 11424413) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate
PubChem CID11424413
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate
SMILESO=C(O[C@@H]1CCCC[C@@H]1O)N1CCCC1
InChIInChI=1S/C11H19NO3/c13-9-5-1-2-6-10(9)15-11(14)12-7-3-4-8-12/h9-10,13H,1-8H2/t9-,10+/m0/s1
InChIKeyPKNFZEMZVABKRU-VHSXEESVSA-N
XLogP1.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S)-2-hydroxycycloheptyl] pyrrolidine-1-carboxylate
CID 102024660
[(1R,2S)-2-hydroxycyclopentyl] pyrrolidine-1-carboxylate
CID 101426040
[(1R)-2-hydroxycyclopropyl] pyrrolidine-1-carboxylate
CID 175097234
[2-(aminomethyl)cyclohexyl] azepane-1-carboxylate
CID 79337051
[(1R,2S)-2-hydroxycyclopentyl] carbamate
CID 175128754
(3-hydroxy-4-propan-2-ylcyclohexyl) piperidine-1-carboxylate
CID 171660390
(3-aminocyclobutyl) pyrrolidine-1-carboxylate
CID 79346584
pyrrolidin-3-yl piperidine-1-carboxylate
CID 79337599
(3-aminocyclohexyl) pyrrolidine-1-carboxylate
CID 79465438
cyclohexylmethyl pyrrolidine-1-carboxylate
CID 85230627
3-(2-hydroxycyclohexyl)oxycarbonylbut-3-enoic acid
CID 175713835
methyl 4-methylazocane-1-carboxylate
CID 91583832

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate?
The IUPAC name of [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate (CID 11424413) is [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate is O=C(O[C@@H]1CCCC[C@@H]1O)N1CCCC1.
What is the InChIKey of [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate?
The InChIKey is PKNFZEMZVABKRU-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19NO3/c13-9-5-1-2-6-10(9)15-11(14)12-7-3-4-8-12/h9-10,13H,1-8H2/t9-,10+/m0/s1.
What are the key properties of [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate?
[(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-hydroxycyclohexyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 11424413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).