(2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol

C11H23NO — CID 163670964

IUPAC(2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol
SMILESCCC[C@H](O)CN(C)[C@@H]1CC[C@@H]1C
InChIInChI=1S/C11H23NO/c1-4-5-10(13)8-12(3)11-7-6-9(11)2/h9-11,13H,4-8H2,1-3H3/t9-,10-,11+/m0/s1
InChIKeyJCMCOPMYFZFOFK-GARJFASQSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds5

About (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol

(2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol (PubChem CID 163670964) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol.

Molecular Properties

Compound Name(2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol
PubChem CID163670964
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol
SMILESCCC[C@H](O)CN(C)[C@@H]1CC[C@@H]1C
InChIInChI=1S/C11H23NO/c1-4-5-10(13)8-12(3)11-7-6-9(11)2/h9-11,13H,4-8H2,1-3H3/t9-,10-,11+/m0/s1
InChIKeyJCMCOPMYFZFOFK-GARJFASQSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol?
The IUPAC name of (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol (CID 163670964) is (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol.
What is the SMILES notation for (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol?
The canonical SMILES for (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol is CCC[C@H](O)CN(C)[C@@H]1CC[C@@H]1C.
What is the InChIKey of (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol?
The InChIKey is JCMCOPMYFZFOFK-GARJFASQSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-10(13)8-12(3)11-7-6-9(11)2/h9-11,13H,4-8H2,1-3H3/t9-,10-,11+/m0/s1.
What are the key properties of (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol?
(2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[methyl-[(1R,2S)-2-methylcyclobutyl]amino]pentan-2-ol is sourced from PubChem (CID 163670964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).