(2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone

C12H22N2O2 — CID 12018356

IUPAC(2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone
SMILESN[C@@H](C(=O)N1CCCC1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H22N2O2/c13-11(9-5-1-2-6-10(9)15)12(16)14-7-3-4-8-14/h9-11,15H,1-8,13H2/t9-,10-,11-/m1/s1
InChIKeyKEXBXOZEXDEOGM-GMTAPVOTSA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds2

About (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone

(2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone (PubChem CID 12018356) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name(2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone
PubChem CID12018356
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone
SMILESN[C@@H](C(=O)N1CCCC1)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H22N2O2/c13-11(9-5-1-2-6-10(9)15)12(16)14-7-3-4-8-14/h9-11,15H,1-8,13H2/t9-,10-,11-/m1/s1
InChIKeyKEXBXOZEXDEOGM-GMTAPVOTSA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone (CID 12018356) is (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone is N[C@@H](C(=O)N1CCCC1)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is KEXBXOZEXDEOGM-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-11(9-5-1-2-6-10(9)15)12(16)14-7-3-4-8-14/h9-11,15H,1-8,13H2/t9-,10-,11-/m1/s1.
What are the key properties of (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone?
(2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[(1S,2R)-2-hydroxycyclohexyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 12018356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).