(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one

C11H20N2O2 — CID 107218806

IUPAC(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-7(2)9(12)10(14)13-5-11(15,6-13)8-3-4-8/h7-9,15H,3-6,12H2,1-2H3/t9-/m1/s1
InChIKeyWOAJZDOKHMXCNC-SECBINFHSA-N
MW212.29 g/mol
LogP-0.05
Rot. Bonds3

About (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one

(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one (PubChem CID 107218806) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one
PubChem CID107218806
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-7(2)9(12)10(14)13-5-11(15,6-13)8-3-4-8/h7-9,15H,3-6,12H2,1-2H3/t9-/m1/s1
InChIKeyWOAJZDOKHMXCNC-SECBINFHSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-methylbutan-1-one
CID 107220163
(2S)-2-amino-3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-1-one
CID 87843578
5-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-methylpentan-1-one
CID 107218972
3-cyclopropyl-3-hydroxy-N,N-dimethylazetidine-1-carboxamide
CID 79154860
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-5-methoxypentan-1-one
CID 107218930
2-amino-1-(4,4-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 62930579
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107218906
(2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one
CID 107218805
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone
CID 107218721
N-[1-(2-amino-3-methylbutanoyl)piperidin-4-yl]-N-cyclopropylacetamide
CID 77144284

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one (CID 107218806) is (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one is CC(C)[C@@H](N)C(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one?
The InChIKey is WOAJZDOKHMXCNC-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(2)9(12)10(14)13-5-11(15,6-13)8-3-4-8/h7-9,15H,3-6,12H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one?
(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one has a molecular weight of 212.29 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 107218806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).