2-(phenylmethoxyamino)propanoic acid

C10H13NO3 — CID 13028071

IUPAC2-(phenylmethoxyamino)propanoic acid
SMILESCC(NOCc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-8(10(12)13)11-14-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)
InChIKeyYMYLGVIBUGDMLT-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.18
Rot. Bonds5

About 2-(phenylmethoxyamino)propanoic acid

2-(phenylmethoxyamino)propanoic acid (PubChem CID 13028071) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(phenylmethoxyamino)propanoic acid.

Molecular Properties

Compound Name2-(phenylmethoxyamino)propanoic acid
PubChem CID13028071
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(phenylmethoxyamino)propanoic acid
SMILESCC(NOCc1ccccc1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-8(10(12)13)11-14-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)
InChIKeyYMYLGVIBUGDMLT-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxyamino)propanoic acid?
The IUPAC name of 2-(phenylmethoxyamino)propanoic acid (CID 13028071) is 2-(phenylmethoxyamino)propanoic acid.
What is the SMILES notation for 2-(phenylmethoxyamino)propanoic acid?
The canonical SMILES for 2-(phenylmethoxyamino)propanoic acid is CC(NOCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(phenylmethoxyamino)propanoic acid?
The InChIKey is YMYLGVIBUGDMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8(10(12)13)11-14-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13).
What are the key properties of 2-(phenylmethoxyamino)propanoic acid?
2-(phenylmethoxyamino)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxyamino)propanoic acid is sourced from PubChem (CID 13028071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).