2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid

C12H10N2O4 — CID 82571312

IUPAC2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid
SMILESO=C(O)CNc1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C12H10N2O4/c15-11(16)5-14-12-8-4-10-9(17-6-18-10)3-7(8)1-2-13-12/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyGCOUVMSDYXZCAV-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.46
Rot. Bonds3

About 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid

2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid (PubChem CID 82571312) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid.

Molecular Properties

Compound Name2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid
PubChem CID82571312
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid
SMILESO=C(O)CNc1nccc2cc3c(cc12)OCO3
InChIInChI=1S/C12H10N2O4/c15-11(16)5-14-12-8-4-10-9(17-6-18-10)3-7(8)1-2-13-12/h1-4H,5-6H2,(H,13,14)(H,15,16)
InChIKeyGCOUVMSDYXZCAV-UHFFFAOYSA-N
XLogP1.46
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroprop-2-enyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106539486
5-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)pentanamide
CID 106238731
N-but-2-ynyl-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106539479
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propane-1,3-diamine
CID 82571318
2-[(7-aminoisoquinolin-1-yl)amino]acetic acid
CID 82570060
N-(1,2-oxazol-3-ylmethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106539182
N-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537357
N-(2-methylsulfinylpropyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106539645
2-[(6-chloroisoquinolin-1-yl)amino]acetic acid
CID 82571044
N-(1,2,4-oxadiazol-3-ylmethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106403235
N'-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-methylpropane-1,3-diamine
CID 106543385
N-[[1-(chloromethyl)cyclopropyl]methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543011

Frequently Asked Questions

What is the IUPAC name of 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid?
The IUPAC name of 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid (CID 82571312) is 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid.
What is the SMILES notation for 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid?
The canonical SMILES for 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid is O=C(O)CNc1nccc2cc3c(cc12)OCO3.
What is the InChIKey of 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid?
The InChIKey is GCOUVMSDYXZCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-11(16)5-14-12-8-4-10-9(17-6-18-10)3-7(8)1-2-13-12/h1-4H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid?
2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid has a molecular weight of 246.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)acetic acid is sourced from PubChem (CID 82571312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).