3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid

C12H18N2O5 — CID 43467740

IUPAC3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
SMILESCc1cc(OCC(=O)NC(C(=O)O)C(C)(C)C)no1
InChIInChI=1S/C12H18N2O5/c1-7-5-9(14-19-7)18-6-8(15)13-10(11(16)17)12(2,3)4/h5,10H,6H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyBJLAYXJEHCXFOV-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.98
Rot. Bonds5

About 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid

3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid (PubChem CID 43467740) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
PubChem CID43467740
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
SMILESCc1cc(OCC(=O)NC(C(=O)O)C(C)(C)C)no1
InChIInChI=1S/C12H18N2O5/c1-7-5-9(14-19-7)18-6-8(15)13-10(11(16)17)12(2,3)4/h5,10H,6H2,1-4H3,(H,13,15)(H,16,17)
InChIKeyBJLAYXJEHCXFOV-UHFFFAOYSA-N
XLogP0.98
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid (CID 43467740) is 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid is Cc1cc(OCC(=O)NC(C(=O)O)C(C)(C)C)no1.
What is the InChIKey of 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
The InChIKey is BJLAYXJEHCXFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-7-5-9(14-19-7)18-6-8(15)13-10(11(16)17)12(2,3)4/h5,10H,6H2,1-4H3,(H,13,15)(H,16,17).
What are the key properties of 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid?
3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid has a molecular weight of 270.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid is sourced from PubChem (CID 43467740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).