2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid

C13H19N3O4 — CID 62696305

IUPAC2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
SMILESCCCc1noc(CCC(=O)NC(C(=O)O)C2CC2)n1
InChIInChI=1S/C13H19N3O4/c1-2-3-9-14-11(20-16-9)7-6-10(17)15-12(13(18)19)8-4-5-8/h8,12H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyRJSCLIQEAOGKFY-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.93
Rot. Bonds8

About 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid

2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid (PubChem CID 62696305) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
PubChem CID62696305
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
SMILESCCCc1noc(CCC(=O)NC(C(=O)O)C2CC2)n1
InChIInChI=1S/C13H19N3O4/c1-2-3-9-14-11(20-16-9)7-6-10(17)15-12(13(18)19)8-4-5-8/h8,12H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyRJSCLIQEAOGKFY-UHFFFAOYSA-N
XLogP0.93
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62696005
(2R)-3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 80750774
3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43357554
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 43469214
N-(1-hydroxybutan-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43417872
methyl 3-hydroxy-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 43623424
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
2-cyclopropyl-2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]acetic acid
CID 119213412
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
cis-(1R,3S)-3-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320037
N-[(1R,2R)-2-methylcyclohexyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 94811051

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid (CID 62696305) is 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid is CCCc1noc(CCC(=O)NC(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid?
The InChIKey is RJSCLIQEAOGKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-3-9-14-11(20-16-9)7-6-10(17)15-12(13(18)19)8-4-5-8/h8,12H,2-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid?
2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid is sourced from PubChem (CID 62696305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).