(2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid

C10H16O4 — CID 177463183

IUPAC(2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)[C@@H]1C=C[C@@H](COC)O1
InChIInChI=1S/C10H16O4/c1-3-8(10(11)12)9-5-4-7(14-9)6-13-2/h4-5,7-9H,3,6H2,1-2H3,(H,11,12)/t7-,8+,9-/m0/s1
InChIKeyRXKQVDASCOWKAN-YIZRAAEISA-N
MW200.23 g/mol
LogP1.07
Rot. Bonds5

About (2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid

(2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid (PubChem CID 177463183) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid
PubChem CID177463183
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)[C@@H]1C=C[C@@H](COC)O1
InChIInChI=1S/C10H16O4/c1-3-8(10(11)12)9-5-4-7(14-9)6-13-2/h4-5,7-9H,3,6H2,1-2H3,(H,11,12)/t7-,8+,9-/m0/s1
InChIKeyRXKQVDASCOWKAN-YIZRAAEISA-N
XLogP1.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid?
The IUPAC name of (2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid (CID 177463183) is (2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid?
The canonical SMILES for (2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid is CC[C@@H](C(=O)O)[C@@H]1C=C[C@@H](COC)O1.
What is the InChIKey of (2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid?
The InChIKey is RXKQVDASCOWKAN-YIZRAAEISA-N. The full InChI is InChI=1S/C10H16O4/c1-3-8(10(11)12)9-5-4-7(14-9)6-13-2/h4-5,7-9H,3,6H2,1-2H3,(H,11,12)/t7-,8+,9-/m0/s1.
What are the key properties of (2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid?
(2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5S)-5-(methoxymethyl)-2,5-dihydrofuran-2-yl]butanoic acid is sourced from PubChem (CID 177463183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).