(3S)-3-hydroxypent-4-enoic acid

C5H8O3 — CID 12740485

IUPAC(3S)-3-hydroxypent-4-enoic acid
SMILESC=C[C@@H](O)CC(=O)O
InChIInChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2,4,6H,1,3H2,(H,7,8)/t4-/m1/s1
InChIKeyAINRQBNLOBQURT-SCSAIBSYSA-N
MW116.12 g/mol
LogP0.01
Rot. Bonds3

About (3S)-3-hydroxypent-4-enoic acid

(3S)-3-hydroxypent-4-enoic acid (PubChem CID 12740485) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3S)-3-hydroxypent-4-enoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxypent-4-enoic acid
PubChem CID12740485
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Name(3S)-3-hydroxypent-4-enoic acid
SMILESC=C[C@@H](O)CC(=O)O
InChIInChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2,4,6H,1,3H2,(H,7,8)/t4-/m1/s1
InChIKeyAINRQBNLOBQURT-SCSAIBSYSA-N
XLogP0.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 (3S)-3-hydroxypent-4-enoic acid?
The IUPAC name of (3S)-3-hydroxypent-4-enoic acid (CID 12740485) is (3S)-3-hydroxypent-4-enoic acid.
What is the SMILES notation for (3S)-3-hydroxypent-4-enoic acid?
The canonical SMILES for (3S)-3-hydroxypent-4-enoic acid is C=C[C@@H](O)CC(=O)O.
What is the InChIKey of (3S)-3-hydroxypent-4-enoic acid?
The InChIKey is AINRQBNLOBQURT-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8O3/c1-2-4(6)3-5(7)8/h2,4,6H,1,3H2,(H,7,8)/t4-/m1/s1.
What are the key properties of (3S)-3-hydroxypent-4-enoic acid?
(3S)-3-hydroxypent-4-enoic acid has a molecular weight of 116.12 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxypent-4-enoic acid is sourced from PubChem (CID 12740485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).