2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid

C16H19N3O4 — CID 120533257

IUPAC2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1ccc(-c2ncon2)cc1)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-3-16(4-2,15(21)22)9-17-14(20)12-7-5-11(6-8-12)13-18-10-23-19-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyGNMDWNJPANBDTP-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.36
Rot. Bonds7

About 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid

2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid (PubChem CID 120533257) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
PubChem CID120533257
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1ccc(-c2ncon2)cc1)C(=O)O
InChIInChI=1S/C16H19N3O4/c1-3-16(4-2,15(21)22)9-17-14(20)12-7-5-11(6-8-12)13-18-10-23-19-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyGNMDWNJPANBDTP-UHFFFAOYSA-N
XLogP2.36
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid (CID 120533257) is 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid is CCC(CC)(CNC(=O)c1ccc(-c2ncon2)cc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid?
The InChIKey is GNMDWNJPANBDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-16(4-2,15(21)22)9-17-14(20)12-7-5-11(6-8-12)13-18-10-23-19-13/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid?
2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid has a molecular weight of 317.35 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]butanoic acid is sourced from PubChem (CID 120533257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).