2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid

C11H17N3O4 — CID 119205867

IUPAC2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCc1nc(C)no1
InChIInChI=1S/C11H17N3O4/c1-3-14(7-11(16)17)10(15)6-4-5-9-12-8(2)13-18-9/h3-7H2,1-2H3,(H,16,17)
InChIKeyYRJDAVUCNJZYIG-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.63
Rot. Bonds7

About 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid

2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid (PubChem CID 119205867) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid
PubChem CID119205867
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCc1nc(C)no1
InChIInChI=1S/C11H17N3O4/c1-3-14(7-11(16)17)10(15)6-4-5-9-12-8(2)13-18-9/h3-7H2,1-2H3,(H,16,17)
InChIKeyYRJDAVUCNJZYIG-UHFFFAOYSA-N
XLogP0.63
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic 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

N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192768
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
CID 119206094
2-[ethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119205870
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192796
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197084
2-[carboxymethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 63645313
2-[ethyl-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
CID 119205992
3-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 60989687
1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 58326632
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid (CID 119205867) is 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)CCCc1nc(C)no1.
What is the InChIKey of 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid?
The InChIKey is YRJDAVUCNJZYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-14(7-11(16)17)10(15)6-4-5-9-12-8(2)13-18-9/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid?
2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid is sourced from PubChem (CID 119205867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).