2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid

C7H11N3O3 — CID 106398580

IUPAC2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
SMILESCC(CNCc1ncon1)C(=O)O
InChIInChI=1S/C7H11N3O3/c1-5(7(11)12)2-8-3-6-9-4-13-10-6/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyWAHVPVVMOJGLLJ-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.12
Rot. Bonds5

About 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid

2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid (PubChem CID 106398580) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
PubChem CID106398580
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
SMILESCC(CNCc1ncon1)C(=O)O
InChIInChI=1S/C7H11N3O3/c1-5(7(11)12)2-8-3-6-9-4-13-10-6/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyWAHVPVVMOJGLLJ-UHFFFAOYSA-N
XLogP-0.12
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
methyl 2-bromo-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoate
CID 106401835
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol
CID 106399294
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
CID 106398904
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
2-[1,2,4-oxadiazol-3-ylmethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 106403446
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
CID 106403252
2-fluoro-4-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]benzoic acid
CID 106401821
1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 114183785
2-chloro-N-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)propanamide
CID 106405226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid (CID 106398580) is 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid is CC(CNCc1ncon1)C(=O)O.
What is the InChIKey of 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
The InChIKey is WAHVPVVMOJGLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5(7(11)12)2-8-3-6-9-4-13-10-6/h4-5,8H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid?
2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid is sourced from PubChem (CID 106398580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).