(E)-2-hydroxy-3-methylpent-2-enoic acid

C6H10O3 — CID 23161417

IUPAC(E)-2-hydroxy-3-methylpent-2-enoic acid
SMILESCC/C(C)=C(/O)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h7H,3H2,1-2H3,(H,8,9)/b5-4+
InChIKeyHREXXXHMIGWWHU-SNAWJCMRSA-N
MW130.14 g/mol
LogP1.31
Rot. Bonds2

About (E)-2-hydroxy-3-methylpent-2-enoic acid

(E)-2-hydroxy-3-methylpent-2-enoic acid (PubChem CID 23161417) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (E)-2-hydroxy-3-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-2-hydroxy-3-methylpent-2-enoic acid
PubChem CID23161417
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(E)-2-hydroxy-3-methylpent-2-enoic acid
SMILESCC/C(C)=C(/O)C(=O)O
InChIInChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h7H,3H2,1-2H3,(H,8,9)/b5-4+
InChIKeyHREXXXHMIGWWHU-SNAWJCMRSA-N
XLogP1.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-methylpent-2-enoic acid
CID 73188166
(Z)-3,4-dimethylhex-3-enoic acid
CID 55301212
CID 131870939
CID 131870939
2-butan-2-ylideneoctanoic acid
CID 173391437
2-butan-2-ylidenehex-3-enoic acid
CID 123237351
butan-2-one;2-methylprop-2-enoic acid
CID 18674562
(Z)-3-hydroxy-2-methylpent-2-enoic acid
CID 54723560
ethanol;bis(2-oxopropanoic acid)
CID 159682391
acetic acid;cobalt;propanoic acid
CID 173406712
4-bromo-2-ethyl-3-methylbut-2-enoic acid
CID 71436552
5,6-dimethyloct-5-en-2-one
CID 131227904
copper;propanoic acid
CID 5150615

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-3-methylpent-2-enoic acid?
The IUPAC name of (E)-2-hydroxy-3-methylpent-2-enoic acid (CID 23161417) is (E)-2-hydroxy-3-methylpent-2-enoic acid.
What is the SMILES notation for (E)-2-hydroxy-3-methylpent-2-enoic acid?
The canonical SMILES for (E)-2-hydroxy-3-methylpent-2-enoic acid is CC/C(C)=C(/O)C(=O)O.
What is the InChIKey of (E)-2-hydroxy-3-methylpent-2-enoic acid?
The InChIKey is HREXXXHMIGWWHU-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h7H,3H2,1-2H3,(H,8,9)/b5-4+.
What are the key properties of (E)-2-hydroxy-3-methylpent-2-enoic acid?
(E)-2-hydroxy-3-methylpent-2-enoic acid has a molecular weight of 130.14 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-3-methylpent-2-enoic acid is sourced from PubChem (CID 23161417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).