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

C12H16N2O5 — CID 43360552

IUPAC2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid
SMILESCc1cc(OCC(=O)NC(C)(C(=O)O)C2CC2)no1
InChIInChI=1S/C12H16N2O5/c1-7-5-10(14-19-7)18-6-9(15)13-12(2,11(16)17)8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyVDOKMEMHPXUBHC-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.73
Rot. Bonds6

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

2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid (PubChem CID 43360552) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid
PubChem CID43360552
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid
SMILESCc1cc(OCC(=O)NC(C)(C(=O)O)C2CC2)no1
InChIInChI=1S/C12H16N2O5/c1-7-5-10(14-19-7)18-6-9(15)13-12(2,11(16)17)8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyVDOKMEMHPXUBHC-UHFFFAOYSA-N
XLogP0.73
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid (CID 43360552) is 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid is Cc1cc(OCC(=O)NC(C)(C(=O)O)C2CC2)no1.
What is the InChIKey of 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid?
The InChIKey is VDOKMEMHPXUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7-5-10(14-19-7)18-6-9(15)13-12(2,11(16)17)8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]propanoic acid is sourced from PubChem (CID 43360552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).