2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen

C11H20O9 — CID 157307549

IUPAC2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen
SMILESCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O.[H][H]
InChIInChI=1S/C11H18O9.H2/c1-11(5-18-2-8(12)13,6-19-3-9(14)15)7-20-4-10(16)17;/h2-7H2,1H3,(H,12,13)(H,14,15)(H,16,17);1H
InChIKeyBCQVZFWPVMJPAN-UHFFFAOYSA-N
MW296.27 g/mol
LogP-0.46
Rot. Bonds12

About 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen

2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen (PubChem CID 157307549) has the molecular formula C11H20O9 and a molecular weight of 296.27 g/mol. Its IUPAC name is 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen.

Molecular Properties

Compound Name2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen
PubChem CID157307549
Molecular FormulaC11H20O9
Molecular Weight296.27 g/mol
Exact Mass296.11
IUPAC Name2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen
SMILESCC(COCC(=O)O)(COCC(=O)O)COCC(=O)O.[H][H]
InChIInChI=1S/C11H18O9.H2/c1-11(5-18-2-8(12)13,6-19-3-9(14)15)7-20-4-10(16)17;/h2-7H2,1H3,(H,12,13)(H,14,15)(H,16,17);1H
InChIKeyBCQVZFWPVMJPAN-UHFFFAOYSA-N
XLogP-0.46
TPSA139.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-2-methylpropoxy]acetic acid
CID 167072138
2-[3-(carboxymethoxy)-2,2-bis(carboxymethoxymethyl)propoxy]acetic acid
CID 12729088
2-(2-methyl-2-propoxypropoxy)acetic acid
CID 57089609
2-(carboxymethoxy)acetic acid;sulfane
CID 158807579
2-(carboxymethoxy)acetic acid;hydrochloride
CID 174705448
2-ethoxyacetic acid
CID 159744705
2-[5-(1-amino-3-ethylpentan-3-yl)oxy-2-ethyl-2-methylpentoxy]acetic acid
CID 163524950
2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86084927
carbonic acid;2-ethoxyacetic acid
CID 174869478
2-[3-(2-amino-2-methylpropoxy)-3-methylbutoxy]acetic acid
CID 160561756
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
dichloromethane;2-ethoxyacetic acid
CID 87359195

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen?
The IUPAC name of 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen (CID 157307549) is 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen.
What is the SMILES notation for 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen?
The canonical SMILES for 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen is CC(COCC(=O)O)(COCC(=O)O)COCC(=O)O.[H][H].
What is the InChIKey of 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen?
The InChIKey is BCQVZFWPVMJPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O9.H2/c1-11(5-18-2-8(12)13,6-19-3-9(14)15)7-20-4-10(16)17;/h2-7H2,1H3,(H,12,13)(H,14,15)(H,16,17);1H.
What are the key properties of 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen?
2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen has a molecular weight of 296.27 g/mol, XLogP of -0.46, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethoxy)-2-(carboxymethoxymethyl)-2-methylpropoxy]acetic acid;molecular hydrogen is sourced from PubChem (CID 157307549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).