1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol

C9H17NO2 — CID 131182347

IUPAC1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN([C@H]2CCC[C@@H]2O)C1
InChIInChI=1S/C9H17NO2/c1-9(12)5-10(6-9)7-3-2-4-8(7)11/h7-8,11-12H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyQEKFGCJLZXLUSX-YUMQZZPRSA-N
MW171.24 g/mol
LogP-0.03
Rot. Bonds1

About 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol

1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol (PubChem CID 131182347) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol.

Molecular Properties

Compound Name1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol
PubChem CID131182347
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol
SMILESCC1(O)CN([C@H]2CCC[C@@H]2O)C1
InChIInChI=1S/C9H17NO2/c1-9(12)5-10(6-9)7-3-2-4-8(7)11/h7-8,11-12H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyQEKFGCJLZXLUSX-YUMQZZPRSA-N
XLogP-0.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol?
The IUPAC name of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol (CID 131182347) is 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol.
What is the SMILES notation for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol?
The canonical SMILES for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol is CC1(O)CN([C@H]2CCC[C@@H]2O)C1.
What is the InChIKey of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol?
The InChIKey is QEKFGCJLZXLUSX-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(12)5-10(6-9)7-3-2-4-8(7)11/h7-8,11-12H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol?
1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol has a molecular weight of 171.24 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylazetidin-3-ol is sourced from PubChem (CID 131182347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).