(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one

C12H24N2O2 — CID 107219890

IUPAC(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CC(O)(CCC)C1
InChIInChI=1S/C12H24N2O2/c1-3-5-6-10(13)11(15)14-8-12(16,9-14)7-4-2/h10,16H,3-9,13H2,1-2H3/t10-/m0/s1
InChIKeyYVRWSRXREKMNOU-JTQLQIEISA-N
MW228.34 g/mol
LogP0.88
Rot. Bonds6

About (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one

(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one (PubChem CID 107219890) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one
PubChem CID107219890
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CC(O)(CCC)C1
InChIInChI=1S/C12H24N2O2/c1-3-5-6-10(13)11(15)14-8-12(16,9-14)7-4-2/h10,16H,3-9,13H2,1-2H3/t10-/m0/s1
InChIKeyYVRWSRXREKMNOU-JTQLQIEISA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one
CID 107220007
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
CID 107219842
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 115977074
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)hexan-1-one
CID 86784355
2-amino-1-(3,3,5-trimethylazepan-1-yl)hexan-1-one
CID 21280930
3-amino-4-(3-ethyl-3-hydroxyazetidin-1-yl)-4-oxobutanoic acid
CID 107219711
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one (CID 107219890) is (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CC(O)(CCC)C1.
What is the InChIKey of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one?
The InChIKey is YVRWSRXREKMNOU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-6-10(13)11(15)14-8-12(16,9-14)7-4-2/h10,16H,3-9,13H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one?
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one is sourced from PubChem (CID 107219890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).