2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid

C19H26O12 — CID 158939829

IUPAC2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
SMILESO=C(O)COCCOCC(=O)O.O=C(O)COCCOCC(=O)OCc1ccccc1
InChIInChI=1S/C13H16O6.C6H10O6/c14-12(15)9-17-6-7-18-10-13(16)19-8-11-4-2-1-3-5-11;7-5(8)3-11-1-2-12-4-6(9)10/h1-5H,6-10H2,(H,14,15);1-4H2,(H,7,8)(H,9,10)
InChIKeyJKCMRMVAJPQVCM-UHFFFAOYSA-N
MW446.41 g/mol
LogP0.04
Rot. Bonds16

About 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid

2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid (PubChem CID 158939829) has the molecular formula C19H26O12 and a molecular weight of 446.41 g/mol. Its IUPAC name is 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
PubChem CID158939829
Molecular FormulaC19H26O12
Molecular Weight446.41 g/mol
Exact Mass446.14
IUPAC Name2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
SMILESO=C(O)COCCOCC(=O)O.O=C(O)COCCOCC(=O)OCc1ccccc1
InChIInChI=1S/C13H16O6.C6H10O6/c14-12(15)9-17-6-7-18-10-13(16)19-8-11-4-2-1-3-5-11;7-5(8)3-11-1-2-12-4-6(9)10/h1-5H,6-10H2,(H,14,15);1-4H2,(H,7,8)(H,9,10)
InChIKeyJKCMRMVAJPQVCM-UHFFFAOYSA-N
XLogP0.04
TPSA175.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.41
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-(2-chloro-2-oxoethoxy)acetate
CID 86175241
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
3-O-benzyl 1-O-methyl (2S)-2-[2-[2-oxo-2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]ethoxy]propanedioate
CID 125121025
4-[2-(3-oxo-3-phenylmethoxypropoxy)ethoxy]butanoic acid
CID 146657056
(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227
benzyl 2-aminoacetate
CID 122130027
2-[2-(2-aminoethoxy)ethoxy]acetic acid;benzyl carbonochloridate;2-(2-propoxyethoxy)acetic acid
CID 157234769
benzyl 4-(2-chloro-2-oxoethoxy)butanoate
CID 156706204
2-[carboxymethyl-[2-[carboxymethyl-(2-oxo-2-phenylmethoxyethyl)amino]ethyl]amino]acetic acid
CID 22072677
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
benzyl 2-aminoacetate;hydrochloride
CID 11701227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid?
The IUPAC name of 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid (CID 158939829) is 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid is O=C(O)COCCOCC(=O)O.O=C(O)COCCOCC(=O)OCc1ccccc1.
What is the InChIKey of 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid?
The InChIKey is JKCMRMVAJPQVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O6.C6H10O6/c14-12(15)9-17-6-7-18-10-13(16)19-8-11-4-2-1-3-5-11;7-5(8)3-11-1-2-12-4-6(9)10/h1-5H,6-10H2,(H,14,15);1-4H2,(H,7,8)(H,9,10).
What are the key properties of 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid?
2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid has a molecular weight of 446.41 g/mol, XLogP of 0.04, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid is sourced from PubChem (CID 158939829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).