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

C10H16N4O4 — CID 106420593

IUPAC3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCc1noc(CCNC(=O)N(C)CCC(=O)O)n1
InChIInChI=1S/C10H16N4O4/c1-7-12-8(18-13-7)3-5-11-10(17)14(2)6-4-9(15)16/h3-6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyFVDFHYHHQHYHGC-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.04
Rot. Bonds6

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

3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 106420593) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID106420593
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCc1noc(CCNC(=O)N(C)CCC(=O)O)n1
InChIInChI=1S/C10H16N4O4/c1-7-12-8(18-13-7)3-5-11-10(17)14(2)6-4-9(15)16/h3-6H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyFVDFHYHHQHYHGC-UHFFFAOYSA-N
XLogP0.04
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 60989687
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
2-[tert-butyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]acetic acid
CID 106420555
3-[ethyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]butanoic acid
CID 106420546
3-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl-methylamino]propanoic acid
CID 122002325
3-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylcarbamoyl-methylamino]propanoic acid
CID 122009623
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
3-[cyclopropyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 60844374
N-[3-(N-methylanilino)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86990282
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid (CID 106420593) is 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid is Cc1noc(CCNC(=O)N(C)CCC(=O)O)n1.
What is the InChIKey of 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is FVDFHYHHQHYHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7-12-8(18-13-7)3-5-11-10(17)14(2)6-4-9(15)16/h3-6H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 106420593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).