2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid

C10H11NO4 — CID 162674255

IUPAC2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid
SMILESCC(c1ccccc1)N(O)C(=O)C(=O)O
InChIInChI=1S/C10H11NO4/c1-7(8-5-3-2-4-6-8)11(15)9(12)10(13)14/h2-7,15H,1H3,(H,13,14)
InChIKeyIRVSUCQNKPWMLV-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.05
Rot. Bonds2

About 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid

2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid (PubChem CID 162674255) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid
PubChem CID162674255
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid
SMILESCC(c1ccccc1)N(O)C(=O)C(=O)O
InChIInChI=1S/C10H11NO4/c1-7(8-5-3-2-4-6-8)11(15)9(12)10(13)14/h2-7,15H,1H3,(H,13,14)
InChIKeyIRVSUCQNKPWMLV-UHFFFAOYSA-N
XLogP1.05
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid (CID 162674255) is 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid is CC(c1ccccc1)N(O)C(=O)C(=O)O.
What is the InChIKey of 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid?
The InChIKey is IRVSUCQNKPWMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-7(8-5-3-2-4-6-8)11(15)9(12)10(13)14/h2-7,15H,1H3,(H,13,14).
What are the key properties of 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid?
2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid has a molecular weight of 209.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 162674255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).