1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one

C11H18N2O2 — CID 10353069

IUPAC1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one
SMILESN[C@H](C(=O)N1CC(=O)C1)C1CCCCC1
InChIInChI=1S/C11H18N2O2/c12-10(8-4-2-1-3-5-8)11(15)13-6-9(14)7-13/h8,10H,1-7,12H2/t10-/m0/s1
InChIKeyCFZSDSAOMMLGCJ-JTQLQIEISA-N
MW210.28 g/mol
LogP0.31
Rot. Bonds2

About 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one

1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one (PubChem CID 10353069) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one
PubChem CID10353069
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one
SMILESN[C@H](C(=O)N1CC(=O)C1)C1CCCCC1
InChIInChI=1S/C11H18N2O2/c12-10(8-4-2-1-3-5-8)11(15)13-6-9(14)7-13/h8,10H,1-7,12H2/t10-/m0/s1
InChIKeyCFZSDSAOMMLGCJ-JTQLQIEISA-N
XLogP0.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one?
The IUPAC name of 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one (CID 10353069) is 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one.
What is the SMILES notation for 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one?
The canonical SMILES for 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one is N[C@H](C(=O)N1CC(=O)C1)C1CCCCC1.
What is the InChIKey of 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one?
The InChIKey is CFZSDSAOMMLGCJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O2/c12-10(8-4-2-1-3-5-8)11(15)13-6-9(14)7-13/h8,10H,1-7,12H2/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one?
1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one has a molecular weight of 210.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one is sourced from PubChem (CID 10353069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).