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

Analyze 2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]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-[[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).