(2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride

C11H21ClN2O — CID 130762788

IUPAC(2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)N1CC2CCCC21.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-7(2)10(12)11(14)13-6-8-4-3-5-9(8)13;/h7-10H,3-6,12H2,1-2H3;1H/t8?,9?,10-;/m1./s1
InChIKeyVOCBNSXFLIPXRC-ZSZPEYCFSA-N
MW232.75 g/mol
LogP1.40
Rot. Bonds2

About (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride

(2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride (PubChem CID 130762788) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride
PubChem CID130762788
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name(2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride
SMILESCC(C)[C@@H](N)C(=O)N1CC2CCCC21.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-7(2)10(12)11(14)13-6-8-4-3-5-9(8)13;/h7-10H,3-6,12H2,1-2H3;1H/t8?,9?,10-;/m1./s1
InChIKeyVOCBNSXFLIPXRC-ZSZPEYCFSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride with MolForge

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Related Compounds

(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-3-methylbutan-1-one
CID 65320801
2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one
CID 130734923
(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 119300932
2-amino-1-(2-cyclopropylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 130978633
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-sulfanylpropan-1-one
CID 107031197
(2S)-1-[(5aR,8aR)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-2-aminopropan-1-one
CID 129498922
(2S,3S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methylpentan-1-one
CID 102726137
2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)-3-methylbutan-1-one
CID 119328025
(2S)-1-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutan-1-one
CID 131107402
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-amino-2-methylpentan-1-one
CID 104685219
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride (CID 130762788) is (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride is CC(C)[C@@H](N)C(=O)N1CC2CCCC21.Cl.
What is the InChIKey of (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride?
The InChIKey is VOCBNSXFLIPXRC-ZSZPEYCFSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-7(2)10(12)11(14)13-6-8-4-3-5-9(8)13;/h7-10H,3-6,12H2,1-2H3;1H/t8?,9?,10-;/m1./s1.
What are the key properties of (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride?
(2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)-3-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 130762788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).