4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid

C10H10O6 — CID 101288302

IUPAC4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(C[C@@H](O)C(=O)O)c(O)c1
InChIInChI=1S/C10H10O6/c11-7-4-6(9(13)14)2-1-5(7)3-8(12)10(15)16/h1-2,4,8,11-12H,3H2,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyDVGSVWDDKYECJC-MRVPVSSYSA-N
MW226.18 g/mol
LogP0.08
Rot. Bonds4

About 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid

4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid (PubChem CID 101288302) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid
PubChem CID101288302
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(C[C@@H](O)C(=O)O)c(O)c1
InChIInChI=1S/C10H10O6/c11-7-4-6(9(13)14)2-1-5(7)3-8(12)10(15)16/h1-2,4,8,11-12H,3H2,(H,13,14)(H,15,16)/t8-/m1/s1
InChIKeyDVGSVWDDKYECJC-MRVPVSSYSA-N
XLogP0.08
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxybenzoic acid;2,3-dihydroxybutanedioic acid
CID 159794787
4-(3-chloro-2-oxopropyl)-3-hydroxybenzoic acid
CID 118812643
4-(2-aminoethyl)-3-hydroxybenzoic acid;hydrobromide
CID 119031649
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
3-hydroxy-4-undecylbenzoic acid
CID 101311225
benzene;3,4-dihydroxybenzoic acid
CID 175073097
bis(3,4-dihydroxybenzoic acid);zirconium
CID 23558402
3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid
CID 139243427
2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
CID 90820561
2-amino-3-(4-chloro-2-hydroxyphenyl)propanoic acid
CID 82613831
3-(2-ethyl-4-nitrophenyl)-2-hydroxypropanoic acid
CID 91138136
methyl 3-hydroxy-4-(2-methylpropyl)benzoate
CID 143575429

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid?
The IUPAC name of 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid (CID 101288302) is 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid.
What is the SMILES notation for 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid?
The canonical SMILES for 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid is O=C(O)c1ccc(C[C@@H](O)C(=O)O)c(O)c1.
What is the InChIKey of 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid?
The InChIKey is DVGSVWDDKYECJC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10O6/c11-7-4-6(9(13)14)2-1-5(7)3-8(12)10(15)16/h1-2,4,8,11-12H,3H2,(H,13,14)(H,15,16)/t8-/m1/s1.
What are the key properties of 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid?
4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid has a molecular weight of 226.18 g/mol, XLogP of 0.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid is sourced from PubChem (CID 101288302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).