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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-N-(1,4-dioxane-2-carbonyl)anilino]acetic acid
CID 60827167
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide
CID 95318377
N-(1H-indol-2-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide
CID 126824080
2-[cyclopropyl(1,4-dioxane-2-carbonyl)amino]acetic acid
CID 60825516
(2S)-N-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 94628131
2-[(4-chlorophenyl)methyl-[(2S)-1,4-dioxane-2-carbonyl]amino]acetic acid
CID 129466920
(2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide
CID 95972706
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
(2S)-2-[benzyl-[(2S)-1,4-dioxane-2-carbonyl]amino]propanoic acid
CID 129468489
(2S)-N-methyl-N-[(1R)-2-methyl-1-phenylpropyl]-1,4-dioxane-2-carboxamide
CID 96531726
(2S)-N-methyl-N-[(1S)-2-methyl-1-phenylpropyl]-1,4-dioxane-2-carboxamide
CID 96531725
4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
CID 104855556

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).