3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid

C11H17N3O5 — CID 119170018

IUPAC3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid
SMILESCc1noc(COCC(=O)NC(C(=O)O)C(C)C)n1
InChIInChI=1S/C11H17N3O5/c1-6(2)10(11(16)17)13-8(15)4-18-5-9-12-7(3)14-19-9/h6,10H,4-5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyHVBBCIJBEHYMRJ-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.12
Rot. Bonds7

About 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid

3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid (PubChem CID 119170018) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid
PubChem CID119170018
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid
SMILESCc1noc(COCC(=O)NC(C(=O)O)C(C)C)n1
InChIInChI=1S/C11H17N3O5/c1-6(2)10(11(16)17)13-8(15)4-18-5-9-12-7(3)14-19-9/h6,10H,4-5H2,1-3H3,(H,13,15)(H,16,17)
InChIKeyHVBBCIJBEHYMRJ-UHFFFAOYSA-N
XLogP0.12
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid with MolForge

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Related Compounds

4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid
CID 119253072
(2S,3S)-3-methyl-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119193842
N-[(2R)-1-[4-(dimethylamino)phenyl]propan-2-yl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 97213761
N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 120567691
(2R)-3-methyl-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 119368745
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylacetamide
CID 110677310
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
N-[1-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 119568004
N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 163977516
3-methyl-2-[(2-propan-2-yloxyacetyl)amino]butanoic acid
CID 20799020
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
(2S)-4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 61154132

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid?
The IUPAC name of 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid (CID 119170018) is 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid is Cc1noc(COCC(=O)NC(C(=O)O)C(C)C)n1.
What is the InChIKey of 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid?
The InChIKey is HVBBCIJBEHYMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-6(2)10(11(16)17)13-8(15)4-18-5-9-12-7(3)14-19-9/h6,10H,4-5H2,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid?
3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid has a molecular weight of 271.27 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid is sourced from PubChem (CID 119170018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).