2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid

C13H15NO5 — CID 93332772

IUPAC2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)[C@H]1COCCO1)c1ccccc1
InChIInChI=1S/C13H15NO5/c15-12(16)8-14(10-4-2-1-3-5-10)13(17)11-9-18-6-7-19-11/h1-5,11H,6-9H2,(H,15,16)/t11-/m1/s1
InChIKeyPEPBPWXLFJESDJ-LLVKDONJSA-N
MW265.26 g/mol
LogP0.52
Rot. Bonds4

About 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid

2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid (PubChem CID 93332772) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid
PubChem CID93332772
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)[C@H]1COCCO1)c1ccccc1
InChIInChI=1S/C13H15NO5/c15-12(16)8-14(10-4-2-1-3-5-10)13(17)11-9-18-6-7-19-11/h1-5,11H,6-9H2,(H,15,16)/t11-/m1/s1
InChIKeyPEPBPWXLFJESDJ-LLVKDONJSA-N
XLogP0.52
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid?
The IUPAC name of 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid (CID 93332772) is 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid is O=C(O)CN(C(=O)[C@H]1COCCO1)c1ccccc1.
What is the InChIKey of 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid?
The InChIKey is PEPBPWXLFJESDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15NO5/c15-12(16)8-14(10-4-2-1-3-5-10)13(17)11-9-18-6-7-19-11/h1-5,11H,6-9H2,(H,15,16)/t11-/m1/s1.
What are the key properties of 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid?
2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid has a molecular weight of 265.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid is sourced from PubChem (CID 93332772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).