(2S)-2-(3-propylazetidin-1-yl)butan-1-ol

C10H21NO — CID 107861581

IUPAC(2S)-2-(3-propylazetidin-1-yl)butan-1-ol
SMILESCCCC1CN([C@@H](CC)CO)C1
InChIInChI=1S/C10H21NO/c1-3-5-9-6-11(7-9)10(4-2)8-12/h9-10,12H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyCDNHLVOGLARBIU-JTQLQIEISA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds5

About (2S)-2-(3-propylazetidin-1-yl)butan-1-ol

(2S)-2-(3-propylazetidin-1-yl)butan-1-ol (PubChem CID 107861581) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-2-(3-propylazetidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3-propylazetidin-1-yl)butan-1-ol
PubChem CID107861581
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-2-(3-propylazetidin-1-yl)butan-1-ol
SMILESCCCC1CN([C@@H](CC)CO)C1
InChIInChI=1S/C10H21NO/c1-3-5-9-6-11(7-9)10(4-2)8-12/h9-10,12H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyCDNHLVOGLARBIU-JTQLQIEISA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methylazetidin-1-yl)butan-1-ol
CID 107861648
1-pentan-3-ylpyrrolidine-3,4-diol
CID 106672556
4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol
CID 106353580
3-amino-2-(3-propylpyrrolidin-1-yl)pentan-1-ol
CID 104840511
3-[(3-propylazetidin-1-yl)methyl]pentan-1-ol
CID 104550573
2-(3-propylazetidin-1-yl)pentanoic acid
CID 79695238
(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol
CID 151920870
3-methyl-4-(3-propylazetidin-1-yl)butan-1-ol
CID 104550305
1-cyclopropyl-2-(3-propylazetidin-1-yl)ethanol
CID 104549602
2-cyclopropyl-2-(3-propylazetidin-1-yl)ethanamine
CID 79678057
3-hexan-3-yl-3-azabicyclo[3.1.0]hexane
CID 139359244
2-methyl-2-(3-propylazetidin-1-yl)butanoic acid
CID 79801474

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-propylazetidin-1-yl)butan-1-ol?
The IUPAC name of (2S)-2-(3-propylazetidin-1-yl)butan-1-ol (CID 107861581) is (2S)-2-(3-propylazetidin-1-yl)butan-1-ol.
What is the SMILES notation for (2S)-2-(3-propylazetidin-1-yl)butan-1-ol?
The canonical SMILES for (2S)-2-(3-propylazetidin-1-yl)butan-1-ol is CCCC1CN([C@@H](CC)CO)C1.
What is the InChIKey of (2S)-2-(3-propylazetidin-1-yl)butan-1-ol?
The InChIKey is CDNHLVOGLARBIU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-9-6-11(7-9)10(4-2)8-12/h9-10,12H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3-propylazetidin-1-yl)butan-1-ol?
(2S)-2-(3-propylazetidin-1-yl)butan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-propylazetidin-1-yl)butan-1-ol is sourced from PubChem (CID 107861581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).