3-hydroxy-4-methyl-2-methylidenepentanoic acid

C7H12O3 — CID 10997157

IUPAC3-hydroxy-4-methyl-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(O)C(C)C
InChIInChI=1S/C7H12O3/c1-4(2)6(8)5(3)7(9)10/h4,6,8H,3H2,1-2H3,(H,9,10)
InChIKeyHLTIEEQJENVUIA-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.64
Rot. Bonds3

About 3-hydroxy-4-methyl-2-methylidenepentanoic acid

3-hydroxy-4-methyl-2-methylidenepentanoic acid (PubChem CID 10997157) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-2-methylidenepentanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-methyl-2-methylidenepentanoic acid
PubChem CID10997157
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-hydroxy-4-methyl-2-methylidenepentanoic acid
SMILESC=C(C(=O)O)C(O)C(C)C
InChIInChI=1S/C7H12O3/c1-4(2)6(8)5(3)7(9)10/h4,6,8H,3H2,1-2H3,(H,9,10)
InChIKeyHLTIEEQJENVUIA-UHFFFAOYSA-N
XLogP0.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-hydroxy-2-methylidenepentanoate
CID 339667
Pentanoic acid, 3-hydroxy-4-methyl-2-methylene-, methyl ester
CID 10329537
Ethyl 3-hydroxy-4-methyl-2-methylidenepentanoate
CID 11401033
(3R)-3-methoxy-4-methyl-2-methylidenepentanoic acid
CID 101229687
Ethyl 3-hydroxy-2-methylidenepentanoate
CID 10103405
3-Hydroxy-4-methyl-4-pentenoic acid
CID 12740486
Methyl 2-[cyclopropyl(hydroxy)methyl]prop-2-enoate
CID 130131172
4-Methylpentyl 3-hydroxy-2-methylenebutanoate
CID 91691688
methyl (2Z)-3-hydroxy-2-(iodomethylidene)-4-methylpentanoate
CID 10869806
3-Hydroxy-2-methylidenepentanoic acid
CID 15082519
Hydron;3-hydroxy-2-methylidenepentanoate
CID 88342477
methyl (3R)-3-hydroxy-2-methylidenepentanoate
CID 10964638

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-2-methylidenepentanoic acid?
The IUPAC name of 3-hydroxy-4-methyl-2-methylidenepentanoic acid (CID 10997157) is 3-hydroxy-4-methyl-2-methylidenepentanoic acid.
What is the SMILES notation for 3-hydroxy-4-methyl-2-methylidenepentanoic acid?
The canonical SMILES for 3-hydroxy-4-methyl-2-methylidenepentanoic acid is C=C(C(=O)O)C(O)C(C)C.
What is the InChIKey of 3-hydroxy-4-methyl-2-methylidenepentanoic acid?
The InChIKey is HLTIEEQJENVUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-4(2)6(8)5(3)7(9)10/h4,6,8H,3H2,1-2H3,(H,9,10).
What are the key properties of 3-hydroxy-4-methyl-2-methylidenepentanoic acid?
3-hydroxy-4-methyl-2-methylidenepentanoic acid has a molecular weight of 144.17 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-2-methylidenepentanoic acid is sourced from PubChem (CID 10997157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).