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

C10H17N3O3 — CID 60987942

IUPAC3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
SMILESCC(C)c1noc(CN(C)CCC(=O)O)n1
InChIInChI=1S/C10H17N3O3/c1-7(2)10-11-8(16-12-10)6-13(3)5-4-9(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyYNDZYAJZBCAIRA-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.10
Rot. Bonds6

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

3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid (PubChem CID 60987942) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
PubChem CID60987942
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
SMILESCC(C)c1noc(CN(C)CCC(=O)O)n1
InChIInChI=1S/C10H17N3O3/c1-7(2)10-11-8(16-12-10)6-13(3)5-4-9(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyYNDZYAJZBCAIRA-UHFFFAOYSA-N
XLogP1.10
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetate
CID 60721009
5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol
CID 107204044
2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]-N-propylacetamide
CID 24648763
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
N-(2,6-dichlorophenyl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 55525642
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 119368745
2-[butyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 56812880
(2R)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119244349
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 91843033
1-cyclohex-3-en-1-yl-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 74242475

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid (CID 60987942) is 3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid is CC(C)c1noc(CN(C)CCC(=O)O)n1.
What is the InChIKey of 3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid?
The InChIKey is YNDZYAJZBCAIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)10-11-8(16-12-10)6-13(3)5-4-9(14)15/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid?
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 60987942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).