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

C10H11NO4 — CID 82395199

IUPAC2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
SMILESNC(C(=O)O)c1cccc2c1OCCO2
InChIInChI=1S/C10H11NO4/c11-8(10(12)13)6-2-1-3-7-9(6)15-5-4-14-7/h1-3,8H,4-5,11H2,(H,12,13)
InChIKeyNASJVCUTNWAHAS-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.54
Rot. Bonds2

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

2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid (PubChem CID 82395199) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
PubChem CID82395199
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
SMILESNC(C(=O)O)c1cccc2c1OCCO2
InChIInChI=1S/C10H11NO4/c11-8(10(12)13)6-2-1-3-7-9(6)15-5-4-14-7/h1-3,8H,4-5,11H2,(H,12,13)
InChIKeyNASJVCUTNWAHAS-UHFFFAOYSA-N
XLogP0.54
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 82392056
2-amino-2-(5-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117322810
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
ethyl (3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoate
CID 171213622
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
ethyl (3R)-3-amino-3-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoate;hydrochloride
CID 171213623
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 130684063
2-amino-2-(5-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117463473
2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propanedioic acid
CID 22418952
(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
CID 171213604
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid (CID 82395199) is 2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid is NC(C(=O)O)c1cccc2c1OCCO2.
What is the InChIKey of 2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid?
The InChIKey is NASJVCUTNWAHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c11-8(10(12)13)6-2-1-3-7-9(6)15-5-4-14-7/h1-3,8H,4-5,11H2,(H,12,13).
What are the key properties of 2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid?
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid has a molecular weight of 209.20 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid is sourced from PubChem (CID 82395199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).