2-(1,3-dihydroisoindol-2-yl)acetic acid

C10H11NO2 — CID 954465

IUPAC2-(1,3-dihydroisoindol-2-yl)acetic acid
SMILESO=C(O)CN1Cc2ccccc2C1
InChIInChI=1S/C10H11NO2/c12-10(13)7-11-5-8-3-1-2-4-9(8)6-11/h1-4H,5-7H2,(H,12,13)
InChIKeyHZUNEPIRTFDGOT-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.09
Rot. Bonds2

About 2-(1,3-dihydroisoindol-2-yl)acetic acid

2-(1,3-dihydroisoindol-2-yl)acetic acid (PubChem CID 954465) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)acetic acid
PubChem CID954465
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(1,3-dihydroisoindol-2-yl)acetic acid
SMILESO=C(O)CN1Cc2ccccc2C1
InChIInChI=1S/C10H11NO2/c12-10(13)7-11-5-8-3-1-2-4-9(8)6-11/h1-4H,5-7H2,(H,12,13)
InChIKeyHZUNEPIRTFDGOT-UHFFFAOYSA-N
XLogP1.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzylaminodiacetic acid
CID 77606
2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetic acid
CID 771115
(3,4-Dihydro-1H-isoquinolin-2-yl)-acetic acid
CID 1514441
2-[4-[2-[Benzyl(carboxymethyl)amino]ethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 24829231
2(1H)-Isoquinolineacetic acid, 3,4-dihydro-, hydrochloride
CID 3075743
N-benzyl-N-methylglycine
CID 301761
2-(3-Phenylpyrrolidin-1-yl)acetic acid
CID 45791016
2(1h)-isoquinolineacetic acid, 3,4-dihydro-, sodium salt
CID 23685382
2-(1,3-dihydro-2H-isoindol-2-yl)ethanol
CID 12250379
2-(Benzyl(methyl)amino)acetic acid hydrochloride
CID 45792496
2-(2,3-dihydro-1H-isoindol-2-yl)acetic acid hydrochloride
CID 47000606
3-(1,3-Dihydro-2H-isoindol-2-yl)propanoic acid hydrochloride
CID 47000607

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)acetic acid (CID 954465) is 2-(1,3-dihydroisoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)acetic acid is O=C(O)CN1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)acetic acid?
The InChIKey is HZUNEPIRTFDGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(13)7-11-5-8-3-1-2-4-9(8)6-11/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)acetic acid?
2-(1,3-dihydroisoindol-2-yl)acetic acid has a molecular weight of 177.20 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)acetic acid is sourced from PubChem (CID 954465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).