2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid

Name: 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₃NO₆S — CID 117463473

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid

SMILESCS(=O)(=O)c1c(C(N)C(=O)O)ccc2c1OCCO2

InChIInChI=1S/C11H13NO6S/c1-19(15,16)10-6(8(12)11(13)14)2-3-7-9(10)18-5-4-17-7/h2-3,8H,4-5,12H2,1H3,(H,13,14)

InChIKeyUIAQBJIRHXSPGL-UHFFFAOYSA-N

MW287.29 g/mol

LogP-0.05

Rot. Bonds3

About 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid

2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (PubChem CID 117463473) has the molecular formula C₁₁H₁₃NO₆S and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.

Molecular Properties

Compound Name	2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
PubChem CID	117463473
Molecular Formula	C₁₁H₁₃NO₆S
Molecular Weight	287.29 g/mol
Exact Mass	287.05
IUPAC Name	2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
SMILES	CS(=O)(=O)c1c(C(N)C(=O)O)ccc2c1OCCO2
InChI	InChI=1S/C11H13NO6S/c1-19(15,16)10-6(8(12)11(13)14)2-3-7-9(10)18-5-4-17-7/h2-3,8H,4-5,12H2,1H3,(H,13,14)
InChIKey	UIAQBJIRHXSPGL-UHFFFAOYSA-N
XLogP	-0.05
TPSA	115.92 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.29
LogP ≤ 5	-0.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?

The IUPAC name of 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (CID 117463473) is 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.

What is the SMILES notation for 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?

The canonical SMILES for 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is CS(=O)(=O)c1c(C(N)C(=O)O)ccc2c1OCCO2.

What is the InChIKey of 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?

The InChIKey is UIAQBJIRHXSPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6S/c1-19(15,16)10-6(8(12)11(13)14)2-3-7-9(10)18-5-4-17-7/h2-3,8H,4-5,12H2,1H3,(H,13,14).

What are the key properties of 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?

2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid has a molecular weight of 287.29 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is sourced from PubChem (CID 117463473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 117463473 — identifiers, structure, computed properties (public domain)

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