2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid

C11H18O3 — CID 90244941

IUPAC2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid
SMILESCC1(O)CC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C11H18O3/c1-10(14)6-11(7-10)4-2-8(3-5-11)9(12)13/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyHGSHPKAVWKQCIE-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.79
Rot. Bonds1

About 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid

2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid (PubChem CID 90244941) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid
PubChem CID90244941
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid
SMILESCC1(O)CC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C11H18O3/c1-10(14)6-11(7-10)4-2-8(3-5-11)9(12)13/h8,14H,2-7H2,1H3,(H,12,13)
InChIKeyHGSHPKAVWKQCIE-UHFFFAOYSA-N
XLogP1.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-diazadispiro[3.1.56.14]dodecane-9-carboxylic acid
CID 174190753
4-acetyl-4-hydroxycyclohexane-1-carboxylic acid
CID 118221277
4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
4-hydroxy-4-[[[3-(methylamino)-3-oxopropyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 106499287
4-(ethylsulfonylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498315
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
spiro[4.5]decane-3-carboxylic acid
CID 13443385
4-hydroxy-4-(propylaminomethyl)cyclohexane-1-carboxylic acid
CID 105468801
2-(methoxycarbonylamino)spiro[3.5]nonane-7-carboxylic acid
CID 166272414
3-acetyl-3-methylcyclopentane-1-carboxylic acid
CID 89159175

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid?
The IUPAC name of 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid (CID 90244941) is 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid.
What is the SMILES notation for 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid?
The canonical SMILES for 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid is CC1(O)CC2(CCC(C(=O)O)CC2)C1.
What is the InChIKey of 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid?
The InChIKey is HGSHPKAVWKQCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(14)6-11(7-10)4-2-8(3-5-11)9(12)13/h8,14H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid?
2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 90244941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).