(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid

C8H14O3 — CID 135047760

IUPAC(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
SMILESC=C[C@H](O)C(CCC)C(=O)O
InChIInChI=1S/C8H14O3/c1-3-5-6(8(10)11)7(9)4-2/h4,6-7,9H,2-3,5H2,1H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyYCSAUZUQXKAHRA-MLWJPKLSSA-N
MW158.20 g/mol
LogP1.03
Rot. Bonds5

About (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid

(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid (PubChem CID 135047760) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
PubChem CID135047760
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid
SMILESC=C[C@H](O)C(CCC)C(=O)O
InChIInChI=1S/C8H14O3/c1-3-5-6(8(10)11)7(9)4-2/h4,6-7,9H,2-3,5H2,1H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyYCSAUZUQXKAHRA-MLWJPKLSSA-N
XLogP1.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.03
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 (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid?
The IUPAC name of (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid (CID 135047760) is (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid?
The canonical SMILES for (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid is C=C[C@H](O)C(CCC)C(=O)O.
What is the InChIKey of (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid?
The InChIKey is YCSAUZUQXKAHRA-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-5-6(8(10)11)7(9)4-2/h4,6-7,9H,2-3,5H2,1H3,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid?
(2R,3S)-3-hydroxy-2-propylpent-4-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-propylpent-4-enoic acid is sourced from PubChem (CID 135047760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).