cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol

C10H13NO — CID 90677987

IUPACcis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol
SMILESN[C@@H]1CC[C@]1(O)c1ccccc1
InChIInChI=1S/C10H13NO/c11-9-6-7-10(9,12)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2/t9-,10+/m1/s1
InChIKeyOMAAEWSBRRZBIS-ZJUUUORDSA-N
MW163.22 g/mol
LogP1.00
Rot. Bonds1

About cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol

cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol (PubChem CID 90677987) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol
PubChem CID90677987
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Namecis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol
SMILESN[C@@H]1CC[C@]1(O)c1ccccc1
InChIInChI=1S/C10H13NO/c11-9-6-7-10(9,12)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2/t9-,10+/m1/s1
InChIKeyOMAAEWSBRRZBIS-ZJUUUORDSA-N
XLogP1.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol?
The IUPAC name of cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol (CID 90677987) is cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol is N[C@@H]1CC[C@]1(O)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol?
The InChIKey is OMAAEWSBRRZBIS-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H13NO/c11-9-6-7-10(9,12)8-4-2-1-3-5-8/h1-5,9,12H,6-7,11H2/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol?
cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol has a molecular weight of 163.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-amino-1-phenylcyclobutan-1-ol is sourced from PubChem (CID 90677987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).