5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid

C11H10O6 — CID 117348410

IUPAC5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(C2(C(=O)O)CC2)c(O)cc1O
InChIInChI=1S/C11H10O6/c12-7-4-8(13)6(3-5(7)9(14)15)11(1-2-11)10(16)17/h3-4,12-13H,1-2H2,(H,14,15)(H,16,17)
InChIKeyYIGMWSVZNBFJJT-UHFFFAOYSA-N
MW238.19 g/mol
LogP0.91
Rot. Bonds3

About 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid

5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid (PubChem CID 117348410) has the molecular formula C11H10O6 and a molecular weight of 238.19 g/mol. Its IUPAC name is 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid.

Molecular Properties

Compound Name5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid
PubChem CID117348410
Molecular FormulaC11H10O6
Molecular Weight238.19 g/mol
Exact Mass238.05
IUPAC Name5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(C2(C(=O)O)CC2)c(O)cc1O
InChIInChI=1S/C11H10O6/c12-7-4-8(13)6(3-5(7)9(14)15)11(1-2-11)10(16)17/h3-4,12-13H,1-2H2,(H,14,15)(H,16,17)
InChIKeyYIGMWSVZNBFJJT-UHFFFAOYSA-N
XLogP0.91
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid?
The IUPAC name of 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid (CID 117348410) is 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid.
What is the SMILES notation for 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid?
The canonical SMILES for 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid is O=C(O)c1cc(C2(C(=O)O)CC2)c(O)cc1O.
What is the InChIKey of 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid?
The InChIKey is YIGMWSVZNBFJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O6/c12-7-4-8(13)6(3-5(7)9(14)15)11(1-2-11)10(16)17/h3-4,12-13H,1-2H2,(H,14,15)(H,16,17).
What are the key properties of 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid?
5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid has a molecular weight of 238.19 g/mol, XLogP of 0.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-carboxycyclopropyl)-2,4-dihydroxybenzoic acid is sourced from PubChem (CID 117348410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).