(3R)-3-(hydroxymethyl)pent-4-enoic acid

C6H10O3 — CID 55303108

IUPAC(3R)-3-(hydroxymethyl)pent-4-enoic acid
SMILESC=C[C@H](CO)CC(=O)O
InChIInChI=1S/C6H10O3/c1-2-5(4-7)3-6(8)9/h2,5,7H,1,3-4H2,(H,8,9)/t5-/m0/s1
InChIKeyQASBGHYZLLXHRN-YFKPBYRVSA-N
MW130.14 g/mol
LogP0.26
Rot. Bonds4

About (3R)-3-(hydroxymethyl)pent-4-enoic acid

(3R)-3-(hydroxymethyl)pent-4-enoic acid (PubChem CID 55303108) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (3R)-3-(hydroxymethyl)pent-4-enoic acid.

Molecular Properties

Compound Name(3R)-3-(hydroxymethyl)pent-4-enoic acid
PubChem CID55303108
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(3R)-3-(hydroxymethyl)pent-4-enoic acid
SMILESC=C[C@H](CO)CC(=O)O
InChIInChI=1S/C6H10O3/c1-2-5(4-7)3-6(8)9/h2,5,7H,1,3-4H2,(H,8,9)/t5-/m0/s1
InChIKeyQASBGHYZLLXHRN-YFKPBYRVSA-N
XLogP0.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.26
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 (3R)-3-(hydroxymethyl)pent-4-enoic acid?
The IUPAC name of (3R)-3-(hydroxymethyl)pent-4-enoic acid (CID 55303108) is (3R)-3-(hydroxymethyl)pent-4-enoic acid.
What is the SMILES notation for (3R)-3-(hydroxymethyl)pent-4-enoic acid?
The canonical SMILES for (3R)-3-(hydroxymethyl)pent-4-enoic acid is C=C[C@H](CO)CC(=O)O.
What is the InChIKey of (3R)-3-(hydroxymethyl)pent-4-enoic acid?
The InChIKey is QASBGHYZLLXHRN-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-5(4-7)3-6(8)9/h2,5,7H,1,3-4H2,(H,8,9)/t5-/m0/s1.
What are the key properties of (3R)-3-(hydroxymethyl)pent-4-enoic acid?
(3R)-3-(hydroxymethyl)pent-4-enoic acid has a molecular weight of 130.14 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(hydroxymethyl)pent-4-enoic acid is sourced from PubChem (CID 55303108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).