(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid

C9H14N2O4 — CID 104875109

IUPAC(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
SMILESCCCc1noc(CO[C@H](C)C(=O)O)n1
InChIInChI=1S/C9H14N2O4/c1-3-4-7-10-8(15-11-7)5-14-6(2)9(12)13/h6H,3-5H2,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyQRUSRYADUCHOJQ-ZCFIWIBFSA-N
MW214.22 g/mol
LogP1.01
Rot. Bonds6

About (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid

(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid (PubChem CID 104875109) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
PubChem CID104875109
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
SMILESCCCc1noc(CO[C@H](C)C(=O)O)n1
InChIInChI=1S/C9H14N2O4/c1-3-4-7-10-8(15-11-7)5-14-6(2)9(12)13/h6H,3-5H2,1-2H3,(H,12,13)/t6-/m1/s1
InChIKeyQRUSRYADUCHOJQ-ZCFIWIBFSA-N
XLogP1.01
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 119027578
(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
(2R)-2-(1,2,4-oxadiazol-5-ylmethoxy)propanoic acid
CID 104875510
5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid
CID 63850151
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
(2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104876160
2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 60834394
3-fluoro-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 115955982
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62696005

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid?
The IUPAC name of (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid (CID 104875109) is (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid?
The canonical SMILES for (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid is CCCc1noc(CO[C@H](C)C(=O)O)n1.
What is the InChIKey of (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid?
The InChIKey is QRUSRYADUCHOJQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-3-4-7-10-8(15-11-7)5-14-6(2)9(12)13/h6H,3-5H2,1-2H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid?
(2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid has a molecular weight of 214.22 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid is sourced from PubChem (CID 104875109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).