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

C9H14N4O4 — CID 106420746

IUPAC3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1noc(CCNC(=O)NCCC(=O)O)n1
InChIInChI=1S/C9H14N4O4/c1-6-12-7(17-13-6)2-4-10-9(16)11-5-3-8(14)15/h2-5H2,1H3,(H,14,15)(H2,10,11,16)
InChIKeyKEABMLMGZUIQAF-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.31
Rot. Bonds6

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

3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 106420746) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
PubChem CID106420746
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1noc(CCNC(=O)NCCC(=O)O)n1
InChIInChI=1S/C9H14N4O4/c1-6-12-7(17-13-6)2-4-10-9(16)11-5-3-8(14)15/h2-5H2,1H3,(H,14,15)(H2,10,11,16)
InChIKeyKEABMLMGZUIQAF-UHFFFAOYSA-N
XLogP-0.31
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416348
3-chloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]propanamide
CID 106421413
1-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 106420807
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 113363786
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106420645
3-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106415377
2,2-dimethyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106419385
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796132
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 110921864
1-(2-hydroxy-2,3-dimethylpentyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111121157
(2S)-4-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106420662

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid (CID 106420746) is 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid is Cc1noc(CCNC(=O)NCCC(=O)O)n1.
What is the InChIKey of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is KEABMLMGZUIQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-6-12-7(17-13-6)2-4-10-9(16)11-5-3-8(14)15/h2-5H2,1H3,(H,14,15)(H2,10,11,16).
What are the key properties of 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid?
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 242.23 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106420746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).