5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid

C11H19NO4 — CID 107214631

IUPAC5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid
SMILESCC(C)C1(O)CN(C(=O)CCCC(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-8(2)11(16)6-12(7-11)9(13)4-3-5-10(14)15/h8,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyQIYDGRIZSDKPIJ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.47
Rot. Bonds5

About 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid

5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid (PubChem CID 107214631) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid
PubChem CID107214631
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid
SMILESCC(C)C1(O)CN(C(=O)CCCC(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-8(2)11(16)6-12(7-11)9(13)4-3-5-10(14)15/h8,16H,3-7H2,1-2H3,(H,14,15)
InChIKeyQIYDGRIZSDKPIJ-UHFFFAOYSA-N
XLogP0.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220129
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107220230
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107220234
3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
CID 107220182
5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
CID 116991461
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
CID 60950485
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220086
5-[(3R,4R)-3,4-bis(methylamino)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 59071905
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
N-(2-aminoethyl)-2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-oxoacetamide
CID 107211832
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
5-oxo-5-(4-oxopiperidin-1-yl)pentanoic acid
CID 2760467

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid (CID 107214631) is 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid is CC(C)C1(O)CN(C(=O)CCCC(=O)O)C1.
What is the InChIKey of 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid?
The InChIKey is QIYDGRIZSDKPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)11(16)6-12(7-11)9(13)4-3-5-10(14)15/h8,16H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid?
5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 107214631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).