(2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid

C11H18O5 — CID 104875352

IUPAC(2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid
SMILESC[C@@H](OC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C11H18O5/c1-8(10(12)13)16-9-2-4-15-11(6-9)3-5-14-7-11/h8-9H,2-7H2,1H3,(H,12,13)/t8-,9?,11?/m1/s1
InChIKeyIGPDTBSUXPYNIY-FKTRJACZSA-N
MW230.26 g/mol
LogP0.81
Rot. Bonds3

About (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid

(2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid (PubChem CID 104875352) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid
PubChem CID104875352
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid
SMILESC[C@@H](OC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C11H18O5/c1-8(10(12)13)16-9-2-4-15-11(6-9)3-5-14-7-11/h8-9H,2-7H2,1H3,(H,12,13)/t8-,9?,11?/m1/s1
InChIKeyIGPDTBSUXPYNIY-FKTRJACZSA-N
XLogP0.81
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)propanoic acid
CID 104875819
(2S)-2-(oxetan-3-yloxy)propanoic acid
CID 103338261
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
CID 79894126
2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid
CID 79894733
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
4-amino-3-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79900845
3-(2,6-dioxaspiro[4.5]decan-9-ylsulfonyl)butanoic acid
CID 79905814
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-1-one
CID 79913667
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid
CID 79904569
2-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-one
CID 104844951
2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone
CID 116709110

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid?
The IUPAC name of (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid (CID 104875352) is (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid.
What is the SMILES notation for (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid?
The canonical SMILES for (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid is C[C@@H](OC1CCOC2(CCOC2)C1)C(=O)O.
What is the InChIKey of (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid?
The InChIKey is IGPDTBSUXPYNIY-FKTRJACZSA-N. The full InChI is InChI=1S/C11H18O5/c1-8(10(12)13)16-9-2-4-15-11(6-9)3-5-14-7-11/h8-9H,2-7H2,1H3,(H,12,13)/t8-,9?,11?/m1/s1.
What are the key properties of (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid?
(2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid is sourced from PubChem (CID 104875352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).