2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid

C11H11NO5 — CID 170824195

IUPAC2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid
SMILESO=C1NCc2ccc(C(O)C(O)C(=O)O)cc21
InChIInChI=1S/C11H11NO5/c13-8(9(14)11(16)17)5-1-2-6-4-12-10(15)7(6)3-5/h1-3,8-9,13-14H,4H2,(H,12,15)(H,16,17)
InChIKeyQZXVZCQOYFERQJ-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.59
Rot. Bonds3

About 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid

2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid (PubChem CID 170824195) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid
PubChem CID170824195
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid
SMILESO=C1NCc2ccc(C(O)C(O)C(=O)O)cc21
InChIInChI=1S/C11H11NO5/c13-8(9(14)11(16)17)5-1-2-6-4-12-10(15)7(6)3-5/h1-3,8-9,13-14H,4H2,(H,12,15)(H,16,17)
InChIKeyQZXVZCQOYFERQJ-UHFFFAOYSA-N
XLogP-0.59
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid (CID 170824195) is 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid is O=C1NCc2ccc(C(O)C(O)C(=O)O)cc21.
What is the InChIKey of 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid?
The InChIKey is QZXVZCQOYFERQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-8(9(14)11(16)17)5-1-2-6-4-12-10(15)7(6)3-5/h1-3,8-9,13-14H,4H2,(H,12,15)(H,16,17).
What are the key properties of 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid?
2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid has a molecular weight of 237.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propanoic acid is sourced from PubChem (CID 170824195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).