3-phenyl-2-(phenylmethoxyamino)propanoic acid

C16H17NO3 — CID 13028074

IUPAC3-phenyl-2-(phenylmethoxyamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C16H17NO3/c18-16(19)15(11-13-7-3-1-4-8-13)17-20-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,18,19)
InChIKeyISEBNIQQPMISGA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.40
Rot. Bonds7

About 3-phenyl-2-(phenylmethoxyamino)propanoic acid

3-phenyl-2-(phenylmethoxyamino)propanoic acid (PubChem CID 13028074) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-phenyl-2-(phenylmethoxyamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(phenylmethoxyamino)propanoic acid
PubChem CID13028074
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-phenyl-2-(phenylmethoxyamino)propanoic acid
SMILESO=C(O)C(Cc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C16H17NO3/c18-16(19)15(11-13-7-3-1-4-8-13)17-20-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,18,19)
InChIKeyISEBNIQQPMISGA-UHFFFAOYSA-N
XLogP2.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.40
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 3-phenyl-2-(phenylmethoxyamino)propanoic acid?
The IUPAC name of 3-phenyl-2-(phenylmethoxyamino)propanoic acid (CID 13028074) is 3-phenyl-2-(phenylmethoxyamino)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(phenylmethoxyamino)propanoic acid?
The canonical SMILES for 3-phenyl-2-(phenylmethoxyamino)propanoic acid is O=C(O)C(Cc1ccccc1)NOCc1ccccc1.
What is the InChIKey of 3-phenyl-2-(phenylmethoxyamino)propanoic acid?
The InChIKey is ISEBNIQQPMISGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-16(19)15(11-13-7-3-1-4-8-13)17-20-12-14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,18,19).
What are the key properties of 3-phenyl-2-(phenylmethoxyamino)propanoic acid?
3-phenyl-2-(phenylmethoxyamino)propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(phenylmethoxyamino)propanoic acid is sourced from PubChem (CID 13028074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).