2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid

C11H18N4O4 — CID 114184442

IUPAC2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCc1ncno1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-4-15(11(2,3)9(16)17)10(18)12-6-5-8-13-7-14-19-8/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyTXDPICDHSQBCMS-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.51
Rot. Bonds6

About 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 114184442) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID114184442
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NCCc1ncno1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-4-15(11(2,3)9(16)17)10(18)12-6-5-8-13-7-14-19-8/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChIKeyTXDPICDHSQBCMS-UHFFFAOYSA-N
XLogP0.51
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
3,3,3-Trifluoro-2-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106420457
3,3,3-Trifluoro-2-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420796
2-[Methyl-[methyl-[1-[3-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethyl]carbamoyl]amino]propanoic acid
CID 157665019
3-[Tert-butyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoic acid
CID 60833673
3-[Tert-butyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]propanoic acid
CID 61864491
3-Methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]butanoic acid
CID 64701285
2-Methyl-2-(1,2,4-oxadiazol-5-ylmethylamino)propanoic acid
CID 65264159
2,2,3-Trimethyl-3-(1,2,4-oxadiazol-5-ylmethylamino)butanoic acid
CID 65265499
2-(tert-butylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744064
Ethyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]acetate
CID 103744236

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid (CID 114184442) is 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)NCCc1ncno1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is TXDPICDHSQBCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-4-15(11(2,3)9(16)17)10(18)12-6-5-8-13-7-14-19-8/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17).
What are the key properties of 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 270.29 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 114184442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).