2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid

C15H16N2O4 — CID 119203511

IUPAC2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)Cc1noc2ccccc12)C1CC1
InChIInChI=1S/C15H16N2O4/c1-9(15(19)20)17(10-6-7-10)14(18)8-12-11-4-2-3-5-13(11)21-16-12/h2-5,9-10H,6-8H2,1H3,(H,19,20)
InChIKeyLZSXRFZCJIKDMA-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.83
Rot. Bonds5

About 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid

2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid (PubChem CID 119203511) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid
PubChem CID119203511
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)Cc1noc2ccccc12)C1CC1
InChIInChI=1S/C15H16N2O4/c1-9(15(19)20)17(10-6-7-10)14(18)8-12-11-4-2-3-5-13(11)21-16-12/h2-5,9-10H,6-8H2,1H3,(H,19,20)
InChIKeyLZSXRFZCJIKDMA-UHFFFAOYSA-N
XLogP1.83
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 1482045
US11339151, Example 5
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CID 70556743
2-(1,2-benzoxazol-3-yl)-N-methyl-N-phenylacetamide
CID 1819054
2-(1,2-benzoxazol-3-yl)-N-cycloheptylacetamide
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2-(1,2-benzoxazol-3-yl)-N-(3-methylbutyl)acetamide
CID 22519716
5-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 45495525
3-(1,2-Benzoxazol-3-yl)-1-ethylpyrrolidine-2,5-dione
CID 118708185
3-(1,2-Benzoxazol-3-yl)-1-propylpyrrolidine-2,5-dione
CID 118708186
3-(1,2-Benzoxazol-3-yl)-1-butylpyrrolidine-2,5-dione
CID 118708187
3-(1,2-Benzoxazol-3-yl)-1-cyclohexylpyrrolidine-2,5-dione
CID 118708188
2-(1,2-Benzoxazol-3-yl)-1-pyrrolidin-1-ylethanone
CID 6624138

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid (CID 119203511) is 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)Cc1noc2ccccc12)C1CC1.
What is the InChIKey of 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid?
The InChIKey is LZSXRFZCJIKDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9(15(19)20)17(10-6-7-10)14(18)8-12-11-4-2-3-5-13(11)21-16-12/h2-5,9-10H,6-8H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid?
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid is sourced from PubChem (CID 119203511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).