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

C12H19N3O4 — CID 43469214

IUPAC2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCCCc1noc(CCC(=O)NC(CC)C(=O)O)n1
InChIInChI=1S/C12H19N3O4/c1-3-5-9-14-11(19-15-9)7-6-10(16)13-8(4-2)12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyNHUUNSOLRJHZRQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.93
Rot. Bonds8

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

2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (PubChem CID 43469214) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
PubChem CID43469214
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCCCc1noc(CCC(=O)NC(CC)C(=O)O)n1
InChIInChI=1S/C12H19N3O4/c1-3-5-9-14-11(19-15-9)7-6-10(16)13-8(4-2)12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyNHUUNSOLRJHZRQ-UHFFFAOYSA-N
XLogP0.93
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
(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
(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119364174
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-cyclopropyl-2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 62696305
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]hexanoic acid
CID 43469726
2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 119223600
N-(2-bromoprop-2-enyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113227487
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 30656152

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The IUPAC name of 2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (CID 43469214) is 2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The canonical SMILES for 2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is CCCc1noc(CCC(=O)NC(CC)C(=O)O)n1.
What is the InChIKey of 2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The InChIKey is NHUUNSOLRJHZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-5-9-14-11(19-15-9)7-6-10(16)13-8(4-2)12(17)18/h8H,3-7H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
2-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid has a molecular weight of 269.30 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-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 43469214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).