2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid

C11H11NO3 — CID 115023854

IUPAC2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)O)C2
InChIInChI=1S/C11H11NO3/c1-7-2-3-8-5-12(6-10(13)14)11(15)9(8)4-7/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyVUQAZACUGHGNAT-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.04
Rot. Bonds2

About 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid

2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid (PubChem CID 115023854) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
PubChem CID115023854
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)O)C2
InChIInChI=1S/C11H11NO3/c1-7-2-3-8-5-12(6-10(13)14)11(15)9(8)4-7/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyVUQAZACUGHGNAT-UHFFFAOYSA-N
XLogP1.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1',7-dimethyl-5-oxospiro[3H-1,4-benzoxazepine-2,4'-piperidine]-4-yl)acetic acid
CID 92559778
2-(7-ethyl-1-oxo-3,4-dihydroisoquinolin-2-yl)acetic acid
CID 82055331
2-(7-methyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 83753824
tert-butyl 5-methyl-3-oxo-1H-isoindole-2-carboxylate
CID 163719423
2-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 82279778
ethane;6-methyl-2-[(1-oxo-2,3-dihydroisoindol-4-yl)methyl]-3H-isoindol-1-one
CID 177192658
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]acetic acid
CID 174188826
2-(2-hydroxy-2-phenylethyl)-5-methyl-3H-isoindol-1-one
CID 90873430
2-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3H-isoindol-1-one
CID 62022879
2-benzyl-3-oxo-1H-isoindole-5-carboxylic acid
CID 67265769
2-(hydroxymethyl)-6-methoxy-3H-isoindol-1-one
CID 70313346
2-(7-chloro-3-oxo-1H-isoindol-2-yl)acetic acid
CID 115035224

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid (CID 115023854) is 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid is Cc1ccc2c(c1)C(=O)N(CC(=O)O)C2.
What is the InChIKey of 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid?
The InChIKey is VUQAZACUGHGNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7-2-3-8-5-12(6-10(13)14)11(15)9(8)4-7/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid?
2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-1H-isoindol-2-yl)acetic acid is sourced from PubChem (CID 115023854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).