2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid

C12H20O3 — CID 164658846

IUPAC2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid
SMILESCCC(C(=O)O)C1(O)CCC12CCCC2
InChIInChI=1S/C12H20O3/c1-2-9(10(13)14)12(15)8-7-11(12)5-3-4-6-11/h9,15H,2-8H2,1H3,(H,13,14)
InChIKeyWBNRDMPXVWEWGC-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.18
Rot. Bonds3

About 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid

2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid (PubChem CID 164658846) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid
PubChem CID164658846
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid
SMILESCCC(C(=O)O)C1(O)CCC12CCCC2
InChIInChI=1S/C12H20O3/c1-2-9(10(13)14)12(15)8-7-11(12)5-3-4-6-11/h9,15H,2-8H2,1H3,(H,13,14)
InChIKeyWBNRDMPXVWEWGC-UHFFFAOYSA-N
XLogP2.18
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxy-2,2-dimethylcyclohexyl)butanoic acid
CID 79852603
2-(1-hydroxycyclohexyl)butanoic acid;2-(trimethylazaniumyl)acetate
CID 3084405
2-(4-hydroxy-1-propan-2-ylazepan-4-yl)butanoic acid
CID 65076966
2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
CID 64515511
2-(3-ethyl-1-hydroxycyclopentyl)butanoic acid
CID 64515512
2-[(1-aminocyclohexyl)methoxy]butanoic acid
CID 106940020
2-[(3R)-3-(cyclopropanecarbonyl)pyrrolidin-3-yl]butanoic acid
CID 67355372
2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid
CID 64669958
10-propan-2-ylspiro[4.5]decan-10-ol
CID 130592861
3-(3-methylbutyl)spiro[3.4]octan-3-ol
CID 164664315
2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid
CID 83266074
2-[(1-methylcyclopentyl)amino]pentanoic acid
CID 83041723

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid?
The IUPAC name of 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid (CID 164658846) is 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid.
What is the SMILES notation for 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid?
The canonical SMILES for 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid is CCC(C(=O)O)C1(O)CCC12CCCC2.
What is the InChIKey of 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid?
The InChIKey is WBNRDMPXVWEWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-9(10(13)14)12(15)8-7-11(12)5-3-4-6-11/h9,15H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid?
2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyspiro[3.4]octan-3-yl)butanoic acid is sourced from PubChem (CID 164658846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).