2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid

C14H14O10 — CID 90901057

IUPAC2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
SMILESO=C(O)COc1cc(CC(=O)O)c(OCC(=O)O)cc1CC(=O)O
InChIInChI=1S/C14H14O10/c15-11(16)3-7-1-9(23-5-13(19)20)8(4-12(17)18)2-10(7)24-6-14(21)22/h1-2H,3-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyYYNNSNLLUQBATE-UHFFFAOYSA-N
MW342.26 g/mol
LogP-0.13
Rot. Bonds10

About 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid

2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid (PubChem CID 90901057) has the molecular formula C14H14O10 and a molecular weight of 342.26 g/mol. Its IUPAC name is 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
PubChem CID90901057
Molecular FormulaC14H14O10
Molecular Weight342.26 g/mol
Exact Mass342.06
IUPAC Name2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
SMILESO=C(O)COc1cc(CC(=O)O)c(OCC(=O)O)cc1CC(=O)O
InChIInChI=1S/C14H14O10/c15-11(16)3-7-1-9(23-5-13(19)20)8(4-12(17)18)2-10(7)24-6-14(21)22/h1-2H,3-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKeyYYNNSNLLUQBATE-UHFFFAOYSA-N
XLogP-0.13
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-acetamido-2-(carboxymethoxy)phenyl]acetic acid
CID 142628351
2-(5-bromo-2-ethylphenoxy)acetic acid
CID 151411352
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
2-[[10,13,20,23,30-pentakis(carboxymethoxy)-3-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7(35),8,10,12,14,16(34),17(33),18,20,22,24,26(32),27(31),28-octadecaenyl]oxy]acetic acid
CID 122375975
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
2-[3,5-bis(carboxymethoxy)-4-formylphenoxy]acetic acid
CID 56974198
2-[5-chloro-4-(hydroxymethyl)-2-methoxyphenoxy]acetic acid
CID 97179048
2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
2-[2-(aminomethyl)phenoxy]acetic acid
CID 15103326
CID 131854846
CID 131854846

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid (CID 90901057) is 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid is O=C(O)COc1cc(CC(=O)O)c(OCC(=O)O)cc1CC(=O)O.
What is the InChIKey of 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid?
The InChIKey is YYNNSNLLUQBATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O10/c15-11(16)3-7-1-9(23-5-13(19)20)8(4-12(17)18)2-10(7)24-6-14(21)22/h1-2H,3-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid?
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid has a molecular weight of 342.26 g/mol, XLogP of -0.13, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid is sourced from PubChem (CID 90901057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).