2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid

C10H20O4 — CID 79304211

IUPAC2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid
SMILESCOCCC(C)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C10H20O4/c1-7(2)10(13,9(11)12)8(3)5-6-14-4/h7-8,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyARIXOJUBWOQJAE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.13
Rot. Bonds6

About 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid

2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid (PubChem CID 79304211) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid
PubChem CID79304211
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid
SMILESCOCCC(C)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C10H20O4/c1-7(2)10(13,9(11)12)8(3)5-6-14-4/h7-8,13H,5-6H2,1-4H3,(H,11,12)
InChIKeyARIXOJUBWOQJAE-UHFFFAOYSA-N
XLogP1.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
CID 79303936
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
carbonic acid;3-chloro-1-methoxybutane
CID 86749865
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
4-methoxy-2,2,3-trimethylbutanoic acid
CID 79426196
2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid
CID 79303592
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol
CID 116500217
2-fluoro-5-methoxy-3-methylpentanoic acid
CID 81357953
2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid
CID 79268714
2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 64603274
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid?
The IUPAC name of 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid (CID 79304211) is 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid?
The canonical SMILES for 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid is COCCC(C)C(O)(C(=O)O)C(C)C.
What is the InChIKey of 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid?
The InChIKey is ARIXOJUBWOQJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-7(2)10(13,9(11)12)8(3)5-6-14-4/h7-8,13H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid?
2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 79304211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).