2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid

C10H13NO4 — CID 54223909

IUPAC2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid
SMILESO=C(O)Cn1c(O)c2c(c1O)CCCC2
InChIInChI=1S/C10H13NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h14-15H,1-5H2,(H,12,13)
InChIKeyQENJEXHGILZCFF-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.86
Rot. Bonds2

About 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid

2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid (PubChem CID 54223909) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid
PubChem CID54223909
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid
SMILESO=C(O)Cn1c(O)c2c(c1O)CCCC2
InChIInChI=1S/C10H13NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h14-15H,1-5H2,(H,12,13)
InChIKeyQENJEXHGILZCFF-UHFFFAOYSA-N
XLogP0.86
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-Dihydroxy-4-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-4-yl)acetic acid
CID 123433461
2-Methyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 12842415
2-Ethyl-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53685548
8-(1,3-Dihydroxy-5-methyl-4,5,6,7-tetrahydroisoindol-2-yl)-2-methylideneoctanoic acid
CID 53699760
4-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)butanoic acid
CID 53714698
2-[[2-(Chloromethyl)cyclopropyl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53720873
2-(4-Bromobutyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53721158
6-(1,3-Dihydroxy-4,7-dihydroisoindol-2-yl)hexanoic acid
CID 53729526
2-(2-Hydroxyethyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53743516
6-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)hexanoic acid
CID 53796524
2-(2-Sulfanylethyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53803150
2-(1-Sulfanylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53827900

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid?
The IUPAC name of 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid (CID 54223909) is 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid.
What is the SMILES notation for 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid?
The canonical SMILES for 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid is O=C(O)Cn1c(O)c2c(c1O)CCCC2.
What is the InChIKey of 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid?
The InChIKey is QENJEXHGILZCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h14-15H,1-5H2,(H,12,13).
What are the key properties of 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid?
2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)acetic acid is sourced from PubChem (CID 54223909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).