2-(1-carboxyethoxy)-2-methylpropanoic acid

C7H12O5 — CID 162257931

IUPAC2-(1-carboxyethoxy)-2-methylpropanoic acid
SMILESCC(OC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C7H12O5/c1-4(5(8)9)12-7(2,3)6(10)11/h4H,1-3H3,(H,8,9)(H,10,11)
InChIKeyLASDRYFFNOHHGB-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.34
Rot. Bonds4

About 2-(1-carboxyethoxy)-2-methylpropanoic acid

2-(1-carboxyethoxy)-2-methylpropanoic acid (PubChem CID 162257931) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-(1-carboxyethoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-carboxyethoxy)-2-methylpropanoic acid
PubChem CID162257931
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name2-(1-carboxyethoxy)-2-methylpropanoic acid
SMILESCC(OC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C7H12O5/c1-4(5(8)9)12-7(2,3)6(10)11/h4H,1-3H3,(H,8,9)(H,10,11)
InChIKeyLASDRYFFNOHHGB-UHFFFAOYSA-N
XLogP0.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-hydroxy-2-methylbutyrate
CID 101536
Ethyl 2-hydroxyisobutyrate
CID 6653
2-Acetoxypropionic Acid
CID 79041
2-Ethoxypropanoic acid
CID 15268841
2-Methoxypropanoic acid
CID 92209
2-(Acetyloxy)-2-methylpropanoic acid
CID 347919
2-(2-methoxyethoxy)propanoic Acid
CID 9815219
Lactyl lactate
CID 101567
Glycerol monolactate
CID 95467
(R)-(+)-2-Acetoxypropionic Acid
CID 5325906
2-(1-Carboxyethoxy)propanoic acid
CID 3828587
2-(2-Hydroxy-1-oxopropoxy)propionic acid
CID 69241

Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxyethoxy)-2-methylpropanoic acid?
The IUPAC name of 2-(1-carboxyethoxy)-2-methylpropanoic acid (CID 162257931) is 2-(1-carboxyethoxy)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-carboxyethoxy)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-carboxyethoxy)-2-methylpropanoic acid is CC(OC(C)(C)C(=O)O)C(=O)O.
What is the InChIKey of 2-(1-carboxyethoxy)-2-methylpropanoic acid?
The InChIKey is LASDRYFFNOHHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-4(5(8)9)12-7(2,3)6(10)11/h4H,1-3H3,(H,8,9)(H,10,11).
What are the key properties of 2-(1-carboxyethoxy)-2-methylpropanoic acid?
2-(1-carboxyethoxy)-2-methylpropanoic acid has a molecular weight of 176.17 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxyethoxy)-2-methylpropanoic acid is sourced from PubChem (CID 162257931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).