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

C10H11NO5 — CID 117322810

IUPAC2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
SMILESNC(C(=O)O)c1ccc2c(c1O)OCCO2
InChIInChI=1S/C10H11NO5/c11-7(10(13)14)5-1-2-6-9(8(5)12)16-4-3-15-6/h1-2,7,12H,3-4,11H2,(H,13,14)
InChIKeyXWYMUCWBOBRCNB-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.25
Rot. Bonds2

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

2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (PubChem CID 117322810) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
PubChem CID117322810
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
SMILESNC(C(=O)O)c1ccc2c(c1O)OCCO2
InChIInChI=1S/C10H11NO5/c11-7(10(13)14)5-1-2-6-9(8(5)12)16-4-3-15-6/h1-2,7,12H,3-4,11H2,(H,13,14)
InChIKeyXWYMUCWBOBRCNB-UHFFFAOYSA-N
XLogP0.25
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117350255
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117463473
7-(1-aminoethyl)-3,4-dihydro-2H-1,5-benzodioxepin-6-ol
CID 117298696
2-amino-2-(6-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid
CID 117385401
6-(4-aminobutan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117319949
2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 4625672
3-amino-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117397479
2-amino-2-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)acetic acid
CID 117385402
2-amino-2-(6-chloro-7-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 117403201
5-[(1R)-1-aminoethyl]-1,3-benzodioxol-4-ol
CID 130739560
2-amino-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)acetic acid
CID 117397450

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (CID 117322810) is 2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is NC(C(=O)O)c1ccc2c(c1O)OCCO2.
What is the InChIKey of 2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The InChIKey is XWYMUCWBOBRCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c11-7(10(13)14)5-1-2-6-9(8(5)12)16-4-3-15-6/h1-2,7,12H,3-4,11H2,(H,13,14).
What are the key properties of 2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid has a molecular weight of 225.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is sourced from PubChem (CID 117322810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).