2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid

C10H20O3 — CID 139601458

IUPAC2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid
SMILESCC(C)C(CCO)(C(=O)O)C(C)C
InChIInChI=1S/C10H20O3/c1-7(2)10(5-6-11,8(3)4)9(12)13/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyAJMHMWINOMTIID-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.75
Rot. Bonds5

About 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid

2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid (PubChem CID 139601458) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid
PubChem CID139601458
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid
SMILESCC(C)C(CCO)(C(=O)O)C(C)C
InChIInChI=1S/C10H20O3/c1-7(2)10(5-6-11,8(3)4)9(12)13/h7-8,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyAJMHMWINOMTIID-UHFFFAOYSA-N
XLogP1.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylpentane-1,3,3-triol
CID 89013357
2-ethyl-3-methyl-2-propan-2-ylpentanoic acid
CID 139619790
6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid
CID 83148671
8-hydroxy-2-methyl-2-propan-2-yloctanoic acid
CID 107704755
3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
CID 79304533
2-chloro-4-hydroxy-2-methylbutanoic acid
CID 54026852
2-(aminomethyl)-2-(2-hydroxyethyl)-4-methylpentanoic acid
CID 106488991
2-ethoxy-2-ethyl-3-methylbutanoic acid
CID 116768994
(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid
CID 151869449
6-hydroxy-2,4,4-trimethylhexan-3-one
CID 11615211
2-methyl-2-propan-2-ylbutane-1,4-diol
CID 54159486
2,2-diamino-4-hydroxybutanoic acid
CID 21257162

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid (CID 139601458) is 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid is CC(C)C(CCO)(C(=O)O)C(C)C.
What is the InChIKey of 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid?
The InChIKey is AJMHMWINOMTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)10(5-6-11,8(3)4)9(12)13/h7-8,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid?
2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 139601458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).