(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid

C11H18O4 — CID 131191391

IUPAC(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C11H18O4/c1-8(10(12)13)9-3-2-4-11(7-9)14-5-6-15-11/h8-9H,2-7H2,1H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyMWACELKDQZOYDY-BDAKNGLRSA-N
MW214.26 g/mol
LogP1.64
Rot. Bonds2

About (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid

(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid (PubChem CID 131191391) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid
PubChem CID131191391
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@H]1CCCC2(C1)OCCO2
InChIInChI=1S/C11H18O4/c1-8(10(12)13)9-3-2-4-11(7-9)14-5-6-15-11/h8-9H,2-7H2,1H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyMWACELKDQZOYDY-BDAKNGLRSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-oxaspiro[5.5]undecan-4-yl)propanoic acid
CID 79901459
(2R)-2-(1,4-dioxaspiro[4.5]decan-7-yl)-2-phenylethanol;(2R)-2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylethanol
CID 162080146
3-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79893658
2-(1,4-dioxaspiro[4.4]nonan-8-yl)-3-oxo-3-phenylpropanoic acid
CID 70384716
N-methyl-1,5-dioxaspiro[5.5]undecan-10-amine
CID 83852999
(7R)-7-tert-butyl-1,4-dioxaspiro[4.5]decane
CID 93482217
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propanoic acid
CID 20991583
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
(7S,8R)-7,8-di(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 121421967
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
CID 43567769
3-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-methylpropanoic acid
CID 65066992
2-(6-oxaspiro[4.5]decan-9-yl)pentan-3-one
CID 79894342

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid?
The IUPAC name of (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid (CID 131191391) is (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid is C[C@@H](C(=O)O)[C@H]1CCCC2(C1)OCCO2.
What is the InChIKey of (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid?
The InChIKey is MWACELKDQZOYDY-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18O4/c1-8(10(12)13)9-3-2-4-11(7-9)14-5-6-15-11/h8-9H,2-7H2,1H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid?
(2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]propanoic acid is sourced from PubChem (CID 131191391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).