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

C10H16N4O4 — CID 106403721

IUPAC2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCCc1ncno1)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-7(9(15)16)5-14(2)10(17)11-4-3-8-12-6-13-18-8/h6-7H,3-5H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyBPNWJABJRXBZNW-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.03
Rot. Bonds6

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

2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 106403721) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID106403721
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCCc1ncno1)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-7(9(15)16)5-14(2)10(17)11-4-3-8-12-6-13-18-8/h6-7H,3-5H2,1-2H3,(H,11,17)(H,15,16)
InChIKeyBPNWJABJRXBZNW-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
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
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
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-propan-2-ylurea
CID 103743947
1-Butyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743948
1-Ethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743950
1-Methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
2-(2-Methylpropyl)-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103743964
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744047
1,1-Dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103744088

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid (CID 106403721) is 2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid is CC(CN(C)C(=O)NCCc1ncno1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is BPNWJABJRXBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-7(9(15)16)5-14(2)10(17)11-4-3-8-12-6-13-18-8/h6-7H,3-5H2,1-2H3,(H,11,17)(H,15,16).
What are the key properties of 2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 106403721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).