3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid

C10H15N3O4 — CID 60989687

IUPAC3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
SMILESCc1noc(CCC(=O)N(C)CCC(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-7-11-8(17-12-7)3-4-9(14)13(2)6-5-10(15)16/h3-6H2,1-2H3,(H,15,16)
InChIKeyOZQYRBSWFTUHKA-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.24
Rot. Bonds6

About 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid

3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid (PubChem CID 60989687) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
PubChem CID60989687
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
SMILESCc1noc(CCC(=O)N(C)CCC(=O)O)n1
InChIInChI=1S/C10H15N3O4/c1-7-11-8(17-12-7)3-4-9(14)13(2)6-5-10(15)16/h3-6H2,1-2H3,(H,15,16)
InChIKeyOZQYRBSWFTUHKA-UHFFFAOYSA-N
XLogP0.24
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
CID 106420593
3-[cyclopropyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 60844374
3-[3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]propanoic acid
CID 119232403
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]benzoic acid
CID 104698150
methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate
CID 78959151
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113339840
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 58326632
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]butanoic acid
CID 119172916
3-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 64672859
2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid
CID 119205867
N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid (CID 60989687) is 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid is Cc1noc(CCC(=O)N(C)CCC(=O)O)n1.
What is the InChIKey of 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid?
The InChIKey is OZQYRBSWFTUHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-7-11-8(17-12-7)3-4-9(14)13(2)6-5-10(15)16/h3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid?
3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 60989687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).