2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid

C13H20O12 — CID 12729088

IUPAC2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid
SMILESO=C(O)COCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O
InChIInChI=1S/C13H20O12/c14-9(15)1-22-5-13(6-23-2-10(16)17,7-24-3-11(18)19)8-25-4-12(20)21/h1-8H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyQLATXHFOMFITSU-UHFFFAOYSA-N
MW368.29 g/mol
LogP-1.62
Rot. Bonds16

About 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid

2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid (PubChem CID 12729088) has the molecular formula C13H20O12 and a molecular weight of 368.29 g/mol. Its IUPAC name is 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid
PubChem CID12729088
Molecular FormulaC13H20O12
Molecular Weight368.29 g/mol
Exact Mass368.10
IUPAC Name2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid
SMILESO=C(O)COCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O
InChIInChI=1S/C13H20O12/c14-9(15)1-22-5-13(6-23-2-10(16)17,7-24-3-11(18)19)8-25-4-12(20)21/h1-8H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyQLATXHFOMFITSU-UHFFFAOYSA-N
XLogP-1.62
TPSA186.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen
CID 157307549
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448
2-[2-ethyl-2-(3-ethylpentoxymethyl)butoxy]acetic acid
CID 121429682
2-(fluoromethoxy)acetic acid
CID 162467662
2-ethoxyacetic acid
CID 159744705
2-(2-hydroxyprop-2-enoxy)acetic acid
CID 59294122
2-(2-methyl-2-propoxypropoxy)acetic acid
CID 57089609
2-[2-(aminomethyl)-2-(carboxymethoxymethyl)-3-methoxypropoxy]acetic acid;2-(aminomethyl)-2-(methoxymethyl)propane-1,3-diol;2-[2,2-bis(carboxymethoxymethyl)-3-methoxypropoxy]acetic acid;2-[2-(carboxymethoxymethyl)-2-(hydroxymethyl)pentoxy]acetic acid;2-(hydroxymethyl)-2-(methoxymethyl)propane-1,3-diol;2-(hydroxymethyl)-2-propylpropane-1,3-diol
CID 158422529
2-(2,2-difluoro-2-phenylethoxy)acetic acid
CID 61328007
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid
CID 167072138
carbonic acid;2-ethoxyacetic acid
CID 174869478

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid?
The IUPAC name of 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid (CID 12729088) is 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid.
What is the SMILES notation for 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid?
The canonical SMILES for 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid is O=C(O)COCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O.
What is the InChIKey of 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid?
The InChIKey is QLATXHFOMFITSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O12/c14-9(15)1-22-5-13(6-23-2-10(16)17,7-24-3-11(18)19)8-25-4-12(20)21/h1-8H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid?
2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid has a molecular weight of 368.29 g/mol, XLogP of -1.62, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid is sourced from PubChem (CID 12729088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).