2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid

C9H10N2O4 — CID 82126728

IUPAC2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid
SMILESNNC(C(=O)O)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H10N2O4/c10-11-8(9(12)13)5-1-2-6-7(3-5)15-4-14-6/h1-3,8,11H,4,10H2,(H,12,13)
InChIKeyYBGKIIDXBNQPEG-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.00
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid

2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid (PubChem CID 82126728) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid
PubChem CID82126728
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid
SMILESNNC(C(=O)O)c1ccc2c(c1)OCO2
InChIInChI=1S/C9H10N2O4/c10-11-8(9(12)13)5-1-2-6-7(3-5)15-4-14-6/h1-3,8,11H,4,10H2,(H,12,13)
InChIKeyYBGKIIDXBNQPEG-UHFFFAOYSA-N
XLogP0.00
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-(2-methoxyethylamino)acetic acid
CID 62541216
3-[[1,3-benzodioxol-5-yl(carboxy)methyl]amino]propanoic acid
CID 84748420
2-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)acetic acid
CID 60992329
2-(1,3-benzodioxol-5-yl)-2-(furan-2-ylmethylamino)acetic acid
CID 84748399
2,3-diamino-3-(1,3-benzodioxol-5-yl)propanoic acid
CID 22326283
(2S,3R)-2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoic acid
CID 12792641
ethyl 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)acetate
CID 60785863
methyl (2S)-2-amino-3-(1,3-benzodioxol-5-yl)-3-hydroxypropanoate
CID 70462401
2-anilino-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 60990813
1-(1,3-benzodioxol-5-yl)-1-hydrazinyl-N,N-dimethylmethanamine
CID 116914858
3-amino-3-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanoic acid
CID 43811071
2-(1,3-benzodioxol-5-yl)-3-(dimethylamino)propanoic acid
CID 82083822

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid (CID 82126728) is 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid is NNC(C(=O)O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid?
The InChIKey is YBGKIIDXBNQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c10-11-8(9(12)13)5-1-2-6-7(3-5)15-4-14-6/h1-3,8,11H,4,10H2,(H,12,13).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid?
2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid has a molecular weight of 210.19 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-hydrazinylacetic acid is sourced from PubChem (CID 82126728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).