2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid

C7H14O5P+ — CID 90101736

IUPAC2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid
SMILESCC1(C)CO[P+](O)(CC(=O)O)OC1
InChIInChI=1S/C7H13O5P/c1-7(2)4-11-13(10,12-5-7)3-6(8)9/h10H,3-5H2,1-2H3/p+1
InChIKeyWLBNLWDVFQWKDY-UHFFFAOYSA-O
MW209.16 g/mol
LogP0.90
Rot. Bonds2

About 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid

2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid (PubChem CID 90101736) has the molecular formula C7H14O5P+ and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid
PubChem CID90101736
Molecular FormulaC7H14O5P+
Molecular Weight209.16 g/mol
Exact Mass209.06
IUPAC Name2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid
SMILESCC1(C)CO[P+](O)(CC(=O)O)OC1
InChIInChI=1S/C7H13O5P/c1-7(2)4-11-13(10,12-5-7)3-6(8)9/h10H,3-5H2,1-2H3/p+1
InChIKeyWLBNLWDVFQWKDY-UHFFFAOYSA-O
XLogP0.90
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid?
The IUPAC name of 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid (CID 90101736) is 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid.
What is the SMILES notation for 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid?
The canonical SMILES for 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid is CC1(C)CO[P+](O)(CC(=O)O)OC1.
What is the InChIKey of 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid?
The InChIKey is WLBNLWDVFQWKDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13O5P/c1-7(2)4-11-13(10,12-5-7)3-6(8)9/h10H,3-5H2,1-2H3/p+1.
What are the key properties of 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid?
2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid has a molecular weight of 209.16 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5,5-dimethyl-1,3,2-dioxaphosphinan-2-ium-2-yl)acetic acid is sourced from PubChem (CID 90101736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).