2-amino-2-isoquinolin-3-ylacetic acid

C11H10N2O2 — CID 84776704

IUPAC2-amino-2-isoquinolin-3-ylacetic acid
SMILESNC(C(=O)O)c1cc2ccccc2cn1
InChIInChI=1S/C11H10N2O2/c12-10(11(14)15)9-5-7-3-1-2-4-8(7)6-13-9/h1-6,10H,12H2,(H,14,15)
InChIKeyGUURCKYEZURVPL-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.32
Rot. Bonds2

About 2-amino-2-isoquinolin-3-ylacetic acid

2-amino-2-isoquinolin-3-ylacetic acid (PubChem CID 84776704) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-amino-2-isoquinolin-3-ylacetic acid.

Molecular Properties

Compound Name2-amino-2-isoquinolin-3-ylacetic acid
PubChem CID84776704
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-amino-2-isoquinolin-3-ylacetic acid
SMILESNC(C(=O)O)c1cc2ccccc2cn1
InChIInChI=1S/C11H10N2O2/c12-10(11(14)15)9-5-7-3-1-2-4-8(7)6-13-9/h1-6,10H,12H2,(H,14,15)
InChIKeyGUURCKYEZURVPL-UHFFFAOYSA-N
XLogP1.32
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-isoquinolin-3-ylethanamine
CID 131033550
2-isoquinolin-3-yl-3-methylbutanoic acid
CID 84792757
3-(difluoromethyl)isoquinoline
CID 90766283
3-(3-methylbutan-2-yl)isoquinoline
CID 176748881
isoquinoline-3-carboxylic acid;rhenium
CID 59015469
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
2-amino-2-(2-chloroquinolin-3-yl)acetic acid
CID 4112789
2-amino-2-(3-methylisoquinolin-7-yl)acetic acid
CID 117308063
2-amino-2-(5,6-dimethylpyrazin-2-yl)acetic acid
CID 105439289
2-amino-2-(2-chloropyrimidin-4-yl)acetic acid
CID 134264029
2-amino-2-(5-phenylpyrimidin-2-yl)acetic acid
CID 115037019
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-isoquinolin-3-ylacetic acid?
The IUPAC name of 2-amino-2-isoquinolin-3-ylacetic acid (CID 84776704) is 2-amino-2-isoquinolin-3-ylacetic acid.
What is the SMILES notation for 2-amino-2-isoquinolin-3-ylacetic acid?
The canonical SMILES for 2-amino-2-isoquinolin-3-ylacetic acid is NC(C(=O)O)c1cc2ccccc2cn1.
What is the InChIKey of 2-amino-2-isoquinolin-3-ylacetic acid?
The InChIKey is GUURCKYEZURVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-10(11(14)15)9-5-7-3-1-2-4-8(7)6-13-9/h1-6,10H,12H2,(H,14,15).
What are the key properties of 2-amino-2-isoquinolin-3-ylacetic acid?
2-amino-2-isoquinolin-3-ylacetic acid has a molecular weight of 202.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-isoquinolin-3-ylacetic acid is sourced from PubChem (CID 84776704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).