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

C12H21N3O3 — CID 54959301

IUPAC3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCC(C)c1nc(CN(CCC(=O)O)C(C)C)no1
InChIInChI=1S/C12H21N3O3/c1-8(2)12-13-10(14-18-12)7-15(9(3)4)6-5-11(16)17/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyVLSBWDVZGGIAFO-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.88
Rot. Bonds7

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

3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (PubChem CID 54959301) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
PubChem CID54959301
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCC(C)c1nc(CN(CCC(=O)O)C(C)C)no1
InChIInChI=1S/C12H21N3O3/c1-8(2)12-13-10(14-18-12)7-15(9(3)4)6-5-11(16)17/h8-9H,5-7H2,1-4H3,(H,16,17)
InChIKeyVLSBWDVZGGIAFO-UHFFFAOYSA-N
XLogP1.88
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid with MolForge

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Related Compounds

N-ethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 86812713
2-[[(2S)-butan-2-yl]-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]amino]acetic acid
CID 97239688
3-[(5-Propan-2-yl-1,2,4-oxadiazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109935
2-(5-Methyl-1,2,4-oxadiazol-3-yl)propanoic acid
CID 10844627
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylpropan-2-amine
CID 20687208
2-(5-Ethyl-1,2,4-oxadiazol-3-yl)acetic acid
CID 21312967
N,N-dimethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 58623537
tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 66661395
2-Methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazine-1-carboxylic acid
CID 67057545
Tert-butyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamic acid
CID 67458294
Tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 68902152
Tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 68903489

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (CID 54959301) is 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is CC(C)c1nc(CN(CCC(=O)O)C(C)C)no1.
What is the InChIKey of 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is VLSBWDVZGGIAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-8(2)12-13-10(14-18-12)7-15(9(3)4)6-5-11(16)17/h8-9H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 54959301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).