(1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide

C12H22N2O2 — CID 163975310

IUPAC(1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCN1CCC2C[C@@]21C(=O)NC(C)(C)CCO
InChIInChI=1S/C12H22N2O2/c1-11(2,5-7-15)13-10(16)12-8-9(12)4-6-14(12)3/h9,15H,4-8H2,1-3H3,(H,13,16)/t9?,12-/m0/s1
InChIKeySTOVKHFLQQEPRX-ACGXKRRESA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds4

About (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide

(1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 163975310) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID163975310
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCN1CCC2C[C@@]21C(=O)NC(C)(C)CCO
InChIInChI=1S/C12H22N2O2/c1-11(2,5-7-15)13-10(16)12-8-9(12)4-6-14(12)3/h9,15H,4-8H2,1-3H3,(H,13,16)/t9?,12-/m0/s1
InChIKeySTOVKHFLQQEPRX-ACGXKRRESA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide (CID 163975310) is (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide is CN1CCC2C[C@@]21C(=O)NC(C)(C)CCO.
What is the InChIKey of (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is STOVKHFLQQEPRX-ACGXKRRESA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,5-7-15)13-10(16)12-8-9(12)4-6-14(12)3/h9,15H,4-8H2,1-3H3,(H,13,16)/t9?,12-/m0/s1.
What are the key properties of (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide?
(1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-hydroxy-2-methylbutan-2-yl)-2-methyl-2-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 163975310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).