(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid

C13H21N3O4 — CID 119368745

IUPAC(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCC(C)c1noc(CCC(=O)N[C@@H](C(=O)O)C(C)C)n1
InChIInChI=1S/C13H21N3O4/c1-7(2)11(13(18)19)14-9(17)5-6-10-15-12(8(3)4)16-20-10/h7-8,11H,5-6H2,1-4H3,(H,14,17)(H,18,19)/t11-/m1/s1
InChIKeyAFNNAIBPERNNKN-LLVKDONJSA-N
MW283.33 g/mol
LogP1.35
Rot. Bonds7

About (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid

(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (PubChem CID 119368745) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
PubChem CID119368745
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCC(C)c1noc(CCC(=O)N[C@@H](C(=O)O)C(C)C)n1
InChIInChI=1S/C13H21N3O4/c1-7(2)11(13(18)19)14-9(17)5-6-10-15-12(8(3)4)16-20-10/h7-8,11H,5-6H2,1-4H3,(H,14,17)(H,18,19)/t11-/m1/s1
InChIKeyAFNNAIBPERNNKN-LLVKDONJSA-N
XLogP1.35
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid with MolForge

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Related Compounds

(2R)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119244349
4-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119188464
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
(2R)-2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 95773608
(2R)-2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylbutanoic acid
CID 119368338
N-(3-hydroxy-4-methylpentyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111461301
N-(3-hydroxybutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 111433361
N-(3-aminobutyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 119496886
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 94023291
N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39877535
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39945984

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (CID 119368745) is (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is CC(C)c1noc(CCC(=O)N[C@@H](C(=O)O)C(C)C)n1.
What is the InChIKey of (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The InChIKey is AFNNAIBPERNNKN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-7(2)11(13(18)19)14-9(17)5-6-10-15-12(8(3)4)16-20-10/h7-8,11H,5-6H2,1-4H3,(H,14,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid has a molecular weight of 283.33 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 119368745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).