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

C10H11NO4 — CID 4625672

IUPAC2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
SMILESNC(C(=O)O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H11NO4/c11-9(10(12)13)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5,9H,3-4,11H2,(H,12,13)
InChIKeyBNLLZPGNWVELHB-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.54
Rot. Bonds2

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

2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (PubChem CID 4625672) 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-6-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
PubChem CID4625672
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
SMILESNC(C(=O)O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H11NO4/c11-9(10(12)13)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5,9H,3-4,11H2,(H,12,13)
InChIKeyBNLLZPGNWVELHB-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

(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
(2S,4S)-2,4-diamino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 129462959
3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 43144969
2-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)butanedioic acid
CID 150604895
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
2,3-diamino-3-(1,3-benzodioxol-5-yl)propanoic acid
CID 22326283
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide
CID 171868354
(2S,3R)-2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoic acid
CID 12792641
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 60990813
ethyl 3-amino-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoate
CID 3560607
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dipropylamino)acetic acid
CID 84749219

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The IUPAC name of 2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (CID 4625672) is 2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is NC(C(=O)O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The InChIKey is BNLLZPGNWVELHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c11-9(10(12)13)6-1-2-7-8(5-6)15-4-3-14-7/h1-2,5,9H,3-4,11H2,(H,12,13).
What are the key properties of 2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
2-amino-2-(2,3-dihydro-1,4-benzodioxin-6-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-6-yl)acetic acid is sourced from PubChem (CID 4625672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).