1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol

C9H20N2O — CID 67772249

IUPAC1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol
SMILESCN[C@H](CN1CC(O)C1)C(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)9(10-3)6-11-4-8(12)5-11/h7-10,12H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyZTOZMYOJHGRDEZ-SECBINFHSA-N
MW172.27 g/mol
LogP-0.09
Rot. Bonds4

About 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol

1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol (PubChem CID 67772249) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol
PubChem CID67772249
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol
SMILESCN[C@H](CN1CC(O)C1)C(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)9(10-3)6-11-4-8(12)5-11/h7-10,12H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyZTOZMYOJHGRDEZ-SECBINFHSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol?
The IUPAC name of 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol (CID 67772249) is 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol.
What is the SMILES notation for 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol?
The canonical SMILES for 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol is CN[C@H](CN1CC(O)C1)C(C)C.
What is the InChIKey of 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol?
The InChIKey is ZTOZMYOJHGRDEZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)9(10-3)6-11-4-8(12)5-11/h7-10,12H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol?
1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol has a molecular weight of 172.27 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methyl-2-(methylamino)butyl]azetidin-3-ol is sourced from PubChem (CID 67772249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).