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

C9H14N4O4 — CID 106403718

IUPAC3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCCc1ncno1
InChIInChI=1S/C9H14N4O4/c1-13(5-3-8(14)15)9(16)10-4-2-7-11-6-12-17-7/h6H,2-5H2,1H3,(H,10,16)(H,14,15)
InChIKeyYZCLJILVPIRKSN-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.27
Rot. Bonds6

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

3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 106403718) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID106403718
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCCc1ncno1
InChIInChI=1S/C9H14N4O4/c1-13(5-3-8(14)15)9(16)10-4-2-7-11-6-12-17-7/h6H,2-5H2,1H3,(H,10,16)(H,14,15)
InChIKeyYZCLJILVPIRKSN-UHFFFAOYSA-N
XLogP-0.27
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]propanoic acid
CID 106401873
2-[2-(1,2,4-Oxadiazol-5-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106403917
3,3,3-Trifluoro-2-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106404078
3-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397444
3-nitroso-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106374
3-(diaminomethylideneamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 156106453
N-[2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 157037489
2-(3-Methoxy-1,2,4-oxadiazol-5-yl)ethylcarbamic acid
CID 174173034
Acetic acid;5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazol-3-amine
CID 10013953
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-propylurea
CID 103743945
2-(1,2,4-Oxadiazol-5-yl)ethylurea
CID 103743946
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 103743947

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid (CID 106403718) is 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)NCCc1ncno1.
What is the InChIKey of 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is YZCLJILVPIRKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-13(5-3-8(14)15)9(16)10-4-2-7-11-6-12-17-7/h6H,2-5H2,1H3,(H,10,16)(H,14,15).
What are the key properties of 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 106403718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).