(2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid

C6H8N2O4 — CID 104875510

IUPAC(2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid
SMILESC[C@@H](OCc1ncno1)C(=O)O
InChIInChI=1S/C6H8N2O4/c1-4(6(9)10)11-2-5-7-3-8-12-5/h3-4H,2H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyGMNOMUOCMUINAW-SCSAIBSYSA-N
MW172.14 g/mol
LogP0.06
Rot. Bonds4

About (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid

(2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid (PubChem CID 104875510) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid
PubChem CID104875510
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name(2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid
SMILESC[C@@H](OCc1ncno1)C(=O)O
InChIInChI=1S/C6H8N2O4/c1-4(6(9)10)11-2-5-7-3-8-12-5/h3-4H,2H2,1H3,(H,9,10)/t4-/m1/s1
InChIKeyGMNOMUOCMUINAW-SCSAIBSYSA-N
XLogP0.06
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-tert-butyl-1,3-oxazol-2-yl)methoxy]propanoic acid
CID 104876270
(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875109
2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)butanoic acid
CID 105353197
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid
CID 104875222
(2S)-2-[(5-bromothiophen-2-yl)methoxy]propanoic acid
CID 104875968
(2S)-2-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875727
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022
(2S)-2-amino-3-methyl-3-(1,2,4-oxadiazol-5-ylmethylsulfanyl)butanoic acid
CID 106443025
2-(1,2,4-oxadiazol-5-yl)acetamide
CID 54075435
1-(1,2,4-oxadiazol-5-yl)propan-2-amine
CID 82234832
(2S)-2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]propanoic acid
CID 104876274
(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid
CID 104876424

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid?
The IUPAC name of (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid (CID 104875510) is (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid?
The canonical SMILES for (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid is C[C@@H](OCc1ncno1)C(=O)O.
What is the InChIKey of (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid?
The InChIKey is GMNOMUOCMUINAW-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-4(6(9)10)11-2-5-7-3-8-12-5/h3-4H,2H2,1H3,(H,9,10)/t4-/m1/s1.
What are the key properties of (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid?
(2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid has a molecular weight of 172.14 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid is sourced from PubChem (CID 104875510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).