[(1S,2S)-1-amino-2-phenylcyclopropyl]methanol

C10H13NO — CID 90197341

IUPAC[(1S,2S)-1-amino-2-phenylcyclopropyl]methanol
SMILESN[C@@]1(CO)C[C@H]1c1ccccc1
InChIInChI=1S/C10H13NO/c11-10(7-12)6-9(10)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2/t9-,10+/m0/s1
InChIKeyVLPZNCDSFRIFLA-VHSXEESVSA-N
MW163.22 g/mol
LogP0.86
Rot. Bonds2

About [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol

[(1S,2S)-1-amino-2-phenylcyclopropyl]methanol (PubChem CID 90197341) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-1-amino-2-phenylcyclopropyl]methanol
PubChem CID90197341
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name[(1S,2S)-1-amino-2-phenylcyclopropyl]methanol
SMILESN[C@@]1(CO)C[C@H]1c1ccccc1
InChIInChI=1S/C10H13NO/c11-10(7-12)6-9(10)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2/t9-,10+/m0/s1
InChIKeyVLPZNCDSFRIFLA-VHSXEESVSA-N
XLogP0.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol?
The IUPAC name of [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol (CID 90197341) is [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol.
What is the SMILES notation for [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol?
The canonical SMILES for [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol is N[C@@]1(CO)C[C@H]1c1ccccc1.
What is the InChIKey of [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol?
The InChIKey is VLPZNCDSFRIFLA-VHSXEESVSA-N. The full InChI is InChI=1S/C10H13NO/c11-10(7-12)6-9(10)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2/t9-,10+/m0/s1.
What are the key properties of [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol?
[(1S,2S)-1-amino-2-phenylcyclopropyl]methanol has a molecular weight of 163.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-amino-2-phenylcyclopropyl]methanol is sourced from PubChem (CID 90197341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).