2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid

C15H16N2O4 — CID 119233717

IUPAC2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid
SMILESO=C(Cc1ccon1)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H16N2O4/c18-14(9-13-6-7-21-17-13)16-10-12(15(19)20)8-11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H,16,18)(H,19,20)
InChIKeyPLCCIRJPPMGHKE-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.28
Rot. Bonds7

About 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid

2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 119233717) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid
PubChem CID119233717
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid
SMILESO=C(Cc1ccon1)NCC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H16N2O4/c18-14(9-13-6-7-21-17-13)16-10-12(15(19)20)8-11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H,16,18)(H,19,20)
InChIKeyPLCCIRJPPMGHKE-UHFFFAOYSA-N
XLogP1.28
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
2-benzyl-3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119234070
2-benzyl-3-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]propanoic acid
CID 119233576
N-(furan-2-ylmethyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110850493
1-(2-hydroxy-3-phenylpropyl)-3-(1,2-oxazol-3-ylmethyl)urea
CID 111603989
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563
2-benzyl-3-[[4-oxo-4-(propylamino)butanoyl]amino]propanoic acid
CID 119233732
2-benzyl-3-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]propanoic acid
CID 119233408
2-benzyl-3-[(2-cyclopentylacetyl)amino]propanoic acid
CID 119233645
2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide
CID 131134519
2-[[[2-(1,2-benzothiazol-3-yl)acetyl]amino]methyl]-3-(4-hydroxyphenyl)propanoic acid
CID 166377631
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97227840

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid (CID 119233717) is 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid is O=C(Cc1ccon1)NCC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is PLCCIRJPPMGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-14(9-13-6-7-21-17-13)16-10-12(15(19)20)8-11-4-2-1-3-5-11/h1-7,12H,8-10H2,(H,16,18)(H,19,20).
What are the key properties of 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid?
2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[[2-(1,2-oxazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119233717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).