3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid

C11H17N3O4 — CID 106394690

IUPAC3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCc1ncno1
InChIInChI=1S/C11H17N3O4/c1-11(2,6-10(16)17)5-8(15)12-4-3-9-13-7-14-18-9/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyKGLSGBFKFDBSKB-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.62
Rot. Bonds7

About 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid

3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 106394690) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
PubChem CID106394690
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NCCc1ncno1
InChIInChI=1S/C11H17N3O4/c1-11(2,6-10(16)17)5-8(15)12-4-3-9-13-7-14-18-9/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyKGLSGBFKFDBSKB-UHFFFAOYSA-N
XLogP0.62
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-Dimethyl-4-(1,2,4-oxadiazol-5-yl)butanoic acid
CID 82239624
5-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 102606443
5-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 103603976
3,3-Dimethyl-5-(1,2,4-oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
CID 106394618
2-[1-[2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106394652
2-[2-(1,2,4-Oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394661
2-[1-[2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106394668
2,2-Diethyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 106394671
6-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid
CID 106394673
3-Methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 106394674
cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394677
cis-(1S,3R)-3-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106394686

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid (CID 106394690) is 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NCCc1ncno1.
What is the InChIKey of 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is KGLSGBFKFDBSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,6-10(16)17)5-8(15)12-4-3-9-13-7-14-18-9/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 106394690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).