1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone

C6H11NO — CID 59976368

IUPAC1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone
SMILESCC(=O)[C@@]1(N)C[C@@H]1C
InChIInChI=1S/C6H11NO/c1-4-3-6(4,7)5(2)8/h4H,3,7H2,1-2H3/t4-,6+/m0/s1
InChIKeyVECVUVUMKGABOJ-UJURSFKZSA-N
MW113.16 g/mol
LogP0.31
Rot. Bonds1

About 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone

1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone (PubChem CID 59976368) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone
PubChem CID59976368
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone
SMILESCC(=O)[C@@]1(N)C[C@@H]1C
InChIInChI=1S/C6H11NO/c1-4-3-6(4,7)5(2)8/h4H,3,7H2,1-2H3/t4-,6+/m0/s1
InChIKeyVECVUVUMKGABOJ-UJURSFKZSA-N
XLogP0.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone?
The IUPAC name of 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone (CID 59976368) is 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone.
What is the SMILES notation for 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone?
The canonical SMILES for 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone is CC(=O)[C@@]1(N)C[C@@H]1C.
What is the InChIKey of 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone?
The InChIKey is VECVUVUMKGABOJ-UJURSFKZSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-3-6(4,7)5(2)8/h4H,3,7H2,1-2H3/t4-,6+/m0/s1.
What are the key properties of 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone?
1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone has a molecular weight of 113.16 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone is sourced from PubChem (CID 59976368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).