[(1S,2R)-2-amino-2-methylcyclobutyl]methanol

C6H13NO — CID 55284494

IUPAC[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
SMILESC[C@@]1(N)CC[C@@H]1CO
InChIInChI=1S/C6H13NO/c1-6(7)3-2-5(6)4-8/h5,8H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyDASCWVXDXNHNSF-PHDIDXHHSA-N
MW115.18 g/mol
LogP0.11
Rot. Bonds1

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

[(1S,2R)-2-amino-2-methylcyclobutyl]methanol (PubChem CID 55284494) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(1S,2R)-2-amino-2-methylcyclobutyl]methanol.

Molecular Properties

Compound Name[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
PubChem CID55284494
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
SMILESC[C@@]1(N)CC[C@@H]1CO
InChIInChI=1S/C6H13NO/c1-6(7)3-2-5(6)4-8/h5,8H,2-4,7H2,1H3/t5-,6-/m1/s1
InChIKeyDASCWVXDXNHNSF-PHDIDXHHSA-N
XLogP0.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-amino-2-methylcyclobutyl]methanol?
The IUPAC name of [(1S,2R)-2-amino-2-methylcyclobutyl]methanol (CID 55284494) is [(1S,2R)-2-amino-2-methylcyclobutyl]methanol.
What is the SMILES notation for [(1S,2R)-2-amino-2-methylcyclobutyl]methanol?
The canonical SMILES for [(1S,2R)-2-amino-2-methylcyclobutyl]methanol is C[C@@]1(N)CC[C@@H]1CO.
What is the InChIKey of [(1S,2R)-2-amino-2-methylcyclobutyl]methanol?
The InChIKey is DASCWVXDXNHNSF-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(7)3-2-5(6)4-8/h5,8H,2-4,7H2,1H3/t5-,6-/m1/s1.
What are the key properties of [(1S,2R)-2-amino-2-methylcyclobutyl]methanol?
[(1S,2R)-2-amino-2-methylcyclobutyl]methanol has a molecular weight of 115.18 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-amino-2-methylcyclobutyl]methanol is sourced from PubChem (CID 55284494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).