3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol

C11H22N2O2 — CID 69272605

IUPAC3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol
SMILESC[C@H](NC1CCCC1(C)O)C1(O)CNC1
InChIInChI=1S/C11H22N2O2/c1-8(11(15)6-12-7-11)13-9-4-3-5-10(9,2)14/h8-9,12-15H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyIBTGBWHPZSNBLR-IDKOKCKLSA-N
MW214.31 g/mol
LogP-0.40
Rot. Bonds3

About 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol

3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol (PubChem CID 69272605) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol
PubChem CID69272605
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol
SMILESC[C@H](NC1CCCC1(C)O)C1(O)CNC1
InChIInChI=1S/C11H22N2O2/c1-8(11(15)6-12-7-11)13-9-4-3-5-10(9,2)14/h8-9,12-15H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyIBTGBWHPZSNBLR-IDKOKCKLSA-N
XLogP-0.40
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol?
The IUPAC name of 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol (CID 69272605) is 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol.
What is the SMILES notation for 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol?
The canonical SMILES for 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol is C[C@H](NC1CCCC1(C)O)C1(O)CNC1.
What is the InChIKey of 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol?
The InChIKey is IBTGBWHPZSNBLR-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(11(15)6-12-7-11)13-9-4-3-5-10(9,2)14/h8-9,12-15H,3-7H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol?
3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol has a molecular weight of 214.31 g/mol, XLogP of -0.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-[(2-hydroxy-2-methylcyclopentyl)amino]ethyl]azetidin-3-ol is sourced from PubChem (CID 69272605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).