(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid

C10H16O3 — CID 98041240

IUPAC(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
SMILESCOC1CCC2(CC1)C[C@H]2C(=O)O
InChIInChI=1S/C10H16O3/c1-13-7-2-4-10(5-3-7)6-8(10)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/t7?,8-,10?/m0/s1
InChIKeyYUTADIMCWLUOKR-ZCUBBSJVSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds2

About (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid

(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid (PubChem CID 98041240) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
PubChem CID98041240
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid
SMILESCOC1CCC2(CC1)C[C@H]2C(=O)O
InChIInChI=1S/C10H16O3/c1-13-7-2-4-10(5-3-7)6-8(10)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/t7?,8-,10?/m0/s1
InChIKeyYUTADIMCWLUOKR-ZCUBBSJVSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(methylamino)spiro[2.5]octane-2-carboxylic acid
CID 129319663
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
6-(methylamino)spiro[2.5]octane-2-carboxylic acid;hydrochloride
CID 171314814
(2R)-spiro[2.5]octane-2-carboxylic acid
CID 10419388
6-azaspiro[2.5]octane-2-carboxylic acid
CID 51342230
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
4-methoxycyclohexane-1,1-dicarboxylate
CID 140732737
6-oxospiro[2.5]octane-2-carboxylic acid
CID 84653004
8-methoxy-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165477855
methyl (3R)-7-methoxy-2-azaspiro[3.5]nonane-3-carboxylate
CID 125426547
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230
6-deuterio-6-azaspiro[2.5]octane-2-carboxylic acid
CID 175702388

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid (CID 98041240) is (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid is COC1CCC2(CC1)C[C@H]2C(=O)O.
What is the InChIKey of (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid?
The InChIKey is YUTADIMCWLUOKR-ZCUBBSJVSA-N. The full InChI is InChI=1S/C10H16O3/c1-13-7-2-4-10(5-3-7)6-8(10)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)/t7?,8-,10?/m0/s1.
What are the key properties of (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid?
(2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid has a molecular weight of 184.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-methoxyspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 98041240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).