(2S)-2-hydroxy-2-methylbut-3-enoic acid

C5H8O3 — CID 11205735

IUPAC(2S)-2-hydroxy-2-methylbut-3-enoic acid
SMILESC=C[C@](C)(O)C(=O)O
InChIInChI=1S/C5H8O3/c1-3-5(2,8)4(6)7/h3,8H,1H2,2H3,(H,6,7)/t5-/m0/s1
InChIKeySXQCPXKZTFJHQI-YFKPBYRVSA-N
MW116.12 g/mol
LogP0.01
Rot. Bonds2

About (2S)-2-hydroxy-2-methylbut-3-enoic acid

(2S)-2-hydroxy-2-methylbut-3-enoic acid (PubChem CID 11205735) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methylbut-3-enoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methylbut-3-enoic acid
PubChem CID11205735
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(2S)-2-hydroxy-2-methylbut-3-enoic acid
SMILESC=C[C@](C)(O)C(=O)O
InChIInChI=1S/C5H8O3/c1-3-5(2,8)4(6)7/h3,8H,1H2,2H3,(H,6,7)/t5-/m0/s1
InChIKeySXQCPXKZTFJHQI-YFKPBYRVSA-N
XLogP0.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methylbut-3-enoic acid?
The IUPAC name of (2S)-2-hydroxy-2-methylbut-3-enoic acid (CID 11205735) is (2S)-2-hydroxy-2-methylbut-3-enoic acid.
What is the SMILES notation for (2S)-2-hydroxy-2-methylbut-3-enoic acid?
The canonical SMILES for (2S)-2-hydroxy-2-methylbut-3-enoic acid is C=C[C@](C)(O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-2-methylbut-3-enoic acid?
The InChIKey is SXQCPXKZTFJHQI-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8O3/c1-3-5(2,8)4(6)7/h3,8H,1H2,2H3,(H,6,7)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methylbut-3-enoic acid?
(2S)-2-hydroxy-2-methylbut-3-enoic acid has a molecular weight of 116.12 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methylbut-3-enoic acid is sourced from PubChem (CID 11205735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).