2-(1,2-benzoxazol-3-ylamino)propanoic acid

C10H10N2O3 — CID 69119449

IUPAC2-(1,2-benzoxazol-3-ylamino)propanoic acid
SMILESCC(Nc1noc2ccccc12)C(=O)O
InChIInChI=1S/C10H10N2O3/c1-6(10(13)14)11-9-7-4-2-3-5-8(7)15-12-9/h2-6H,1H3,(H,11,12)(H,13,14)
InChIKeyUFHUBIGLEYEECN-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.71
Rot. Bonds3

About 2-(1,2-benzoxazol-3-ylamino)propanoic acid

2-(1,2-benzoxazol-3-ylamino)propanoic acid (PubChem CID 69119449) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-ylamino)propanoic acid
PubChem CID69119449
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(1,2-benzoxazol-3-ylamino)propanoic acid
SMILESCC(Nc1noc2ccccc12)C(=O)O
InChIInChI=1S/C10H10N2O3/c1-6(10(13)14)11-9-7-4-2-3-5-8(7)15-12-9/h2-6H,1H3,(H,11,12)(H,13,14)
InChIKeyUFHUBIGLEYEECN-UHFFFAOYSA-N
XLogP1.71
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-ylamino)propanoic acid?
The IUPAC name of 2-(1,2-benzoxazol-3-ylamino)propanoic acid (CID 69119449) is 2-(1,2-benzoxazol-3-ylamino)propanoic acid.
What is the SMILES notation for 2-(1,2-benzoxazol-3-ylamino)propanoic acid?
The canonical SMILES for 2-(1,2-benzoxazol-3-ylamino)propanoic acid is CC(Nc1noc2ccccc12)C(=O)O.
What is the InChIKey of 2-(1,2-benzoxazol-3-ylamino)propanoic acid?
The InChIKey is UFHUBIGLEYEECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-6(10(13)14)11-9-7-4-2-3-5-8(7)15-12-9/h2-6H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(1,2-benzoxazol-3-ylamino)propanoic acid?
2-(1,2-benzoxazol-3-ylamino)propanoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-ylamino)propanoic acid is sourced from PubChem (CID 69119449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).