(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide

C12H22N2O — CID 79012677

IUPAC(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-7(2)11(13)12(15)14-10-6-8-3-4-9(10)5-8/h7-11H,3-6,13H2,1-2H3,(H,14,15)/t8?,9?,10?,11-/m1/s1
InChIKeyHKIDBGBZZSOTQB-AHELAYONSA-N
MW210.32 g/mol
LogP1.27
Rot. Bonds3

About (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide

(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide (PubChem CID 79012677) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
PubChem CID79012677
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C12H22N2O/c1-7(2)11(13)12(15)14-10-6-8-3-4-9(10)5-8/h7-11H,3-6,13H2,1-2H3,(H,14,15)/t8?,9?,10?,11-/m1/s1
InChIKeyHKIDBGBZZSOTQB-AHELAYONSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide (CID 79012677) is (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide is CC(C)[C@@H](N)C(=O)NC1CC2CCC1C2.
What is the InChIKey of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide?
The InChIKey is HKIDBGBZZSOTQB-AHELAYONSA-N. The full InChI is InChI=1S/C12H22N2O/c1-7(2)11(13)12(15)14-10-6-8-3-4-9(10)5-8/h7-11H,3-6,13H2,1-2H3,(H,14,15)/t8?,9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide?
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide has a molecular weight of 210.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide is sourced from PubChem (CID 79012677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).