1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid

C8H10O9 — CID 149436888

IUPAC1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid
SMILESO=C(O)COC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O9/c9-4(10)1-3(7(13)14)6(8(15)16)17-2-5(11)12/h3,6H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyKXERYPPVCIIBBY-UHFFFAOYSA-N
MW250.16 g/mol
LogP-1.28
Rot. Bonds8

About 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid

1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid (PubChem CID 149436888) has the molecular formula C8H10O9 and a molecular weight of 250.16 g/mol. Its IUPAC name is 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Name1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid
PubChem CID149436888
Molecular FormulaC8H10O9
Molecular Weight250.16 g/mol
Exact Mass250.03
IUPAC Name1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid
SMILESO=C(O)COC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C8H10O9/c9-4(10)1-3(7(13)14)6(8(15)16)17-2-5(11)12/h3,6H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyKXERYPPVCIIBBY-UHFFFAOYSA-N
XLogP-1.28
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid?
The IUPAC name of 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid (CID 149436888) is 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid.
What is the SMILES notation for 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid?
The canonical SMILES for 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid is O=C(O)COC(C(=O)O)C(CC(=O)O)C(=O)O.
What is the InChIKey of 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid?
The InChIKey is KXERYPPVCIIBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O9/c9-4(10)1-3(7(13)14)6(8(15)16)17-2-5(11)12/h3,6H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid?
1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid has a molecular weight of 250.16 g/mol, XLogP of -1.28, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carboxymethoxy)propane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 149436888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).