2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid

C9H16O4 — CID 106824095

IUPAC2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
SMILESCCC(C(=O)O)C1(O)CC(OC)C1
InChIInChI=1S/C9H16O4/c1-3-7(8(10)11)9(12)4-6(5-9)13-2/h6-7,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyREJBQGPPVXPQDT-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.64
Rot. Bonds4

About 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid

2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid (PubChem CID 106824095) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
PubChem CID106824095
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid
SMILESCCC(C(=O)O)C1(O)CC(OC)C1
InChIInChI=1S/C9H16O4/c1-3-7(8(10)11)9(12)4-6(5-9)13-2/h6-7,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyREJBQGPPVXPQDT-UHFFFAOYSA-N
XLogP0.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
CID 64515511
2-(3-ethyl-1-hydroxycyclopentyl)butanoic acid
CID 64515512
ethyl 2-(3-ethoxy-1-hydroxycyclobutyl)butanoate
CID 106824079
3-methoxy-1-(4-methoxybutan-2-yl)cyclobutan-1-ol
CID 106823648
1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylic acid
CID 106822706
3-methoxy-1-(3-methylbutan-2-yl)cyclobutan-1-ol
CID 130640761
methyl 2-(4-hydroxypiperidin-4-yl)butanoate
CID 62395277
diethyl 2-(1-hydroxy-3-methoxycyclohexyl)propanedioate
CID 106874291
2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid
CID 83266074
methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate
CID 106822708
(2R,4R)-2-ethyl-4-methoxypyrrolidine-1,2-dicarboxylic acid
CID 90904982
3-methoxy-1-(3-methylbutyl)cyclobutan-1-ol
CID 106823575

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid?
The IUPAC name of 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid (CID 106824095) is 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid.
What is the SMILES notation for 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid?
The canonical SMILES for 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid is CCC(C(=O)O)C1(O)CC(OC)C1.
What is the InChIKey of 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid?
The InChIKey is REJBQGPPVXPQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-3-7(8(10)11)9(12)4-6(5-9)13-2/h6-7,12H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid?
2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid has a molecular weight of 188.22 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methoxycyclobutyl)butanoic acid is sourced from PubChem (CID 106824095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).