(3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol

C8H17NO2 — CID 22852331

IUPAC(3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol
SMILESCCCCN1C[C@H](O)C1CO
InChIInChI=1S/C8H17NO2/c1-2-3-4-9-5-8(11)7(9)6-10/h7-8,10-11H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyMOIWUEFLAQOHLY-MQWKRIRWSA-N
MW159.23 g/mol
LogP-0.18
Rot. Bonds4

About (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol

(3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol (PubChem CID 22852331) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol.

Molecular Properties

Compound Name(3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol
PubChem CID22852331
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol
SMILESCCCCN1C[C@H](O)C1CO
InChIInChI=1S/C8H17NO2/c1-2-3-4-9-5-8(11)7(9)6-10/h7-8,10-11H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyMOIWUEFLAQOHLY-MQWKRIRWSA-N
XLogP-0.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol?
The IUPAC name of (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol (CID 22852331) is (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol.
What is the SMILES notation for (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol?
The canonical SMILES for (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol is CCCCN1C[C@H](O)C1CO.
What is the InChIKey of (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol?
The InChIKey is MOIWUEFLAQOHLY-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-4-9-5-8(11)7(9)6-10/h7-8,10-11H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol?
(3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-butyl-2-(hydroxymethyl)azetidin-3-ol is sourced from PubChem (CID 22852331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).