(3R)-3-methoxypent-4-ynoic acid

C6H8O3 — CID 10606755

IUPAC(3R)-3-methoxypent-4-ynoic acid
SMILESC#C[C@@H](CC(=O)O)OC
InChIInChI=1S/C6H8O3/c1-3-5(9-2)4-6(7)8/h1,5H,4H2,2H3,(H,7,8)/t5-/m0/s1
InChIKeyGGBMFTLHPFKBKF-YFKPBYRVSA-N
MW128.13 g/mol
LogP0.11
Rot. Bonds3

About (3R)-3-methoxypent-4-ynoic acid

(3R)-3-methoxypent-4-ynoic acid (PubChem CID 10606755) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3R)-3-methoxypent-4-ynoic acid.

Molecular Properties

Compound Name(3R)-3-methoxypent-4-ynoic acid
PubChem CID10606755
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(3R)-3-methoxypent-4-ynoic acid
SMILESC#C[C@@H](CC(=O)O)OC
InChIInChI=1S/C6H8O3/c1-3-5(9-2)4-6(7)8/h1,5H,4H2,2H3,(H,7,8)/t5-/m0/s1
InChIKeyGGBMFTLHPFKBKF-YFKPBYRVSA-N
XLogP0.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxypent-4-ynoic acid?
The IUPAC name of (3R)-3-methoxypent-4-ynoic acid (CID 10606755) is (3R)-3-methoxypent-4-ynoic acid.
What is the SMILES notation for (3R)-3-methoxypent-4-ynoic acid?
The canonical SMILES for (3R)-3-methoxypent-4-ynoic acid is C#C[C@@H](CC(=O)O)OC.
What is the InChIKey of (3R)-3-methoxypent-4-ynoic acid?
The InChIKey is GGBMFTLHPFKBKF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H8O3/c1-3-5(9-2)4-6(7)8/h1,5H,4H2,2H3,(H,7,8)/t5-/m0/s1.
What are the key properties of (3R)-3-methoxypent-4-ynoic acid?
(3R)-3-methoxypent-4-ynoic acid has a molecular weight of 128.13 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxypent-4-ynoic acid is sourced from PubChem (CID 10606755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).