2-[(3-phenoxyphenyl)methylamino]propanoic acid

C16H17NO3 — CID 61499562

IUPAC2-[(3-phenoxyphenyl)methylamino]propanoic acid
SMILESCC(NCc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-12(16(18)19)17-11-13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3,(H,18,19)
InChIKeyGTTOWGKUGILROH-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.04
Rot. Bonds6

About 2-[(3-phenoxyphenyl)methylamino]propanoic acid

2-[(3-phenoxyphenyl)methylamino]propanoic acid (PubChem CID 61499562) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[(3-phenoxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-phenoxyphenyl)methylamino]propanoic acid
PubChem CID61499562
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[(3-phenoxyphenyl)methylamino]propanoic acid
SMILESCC(NCc1cccc(Oc2ccccc2)c1)C(=O)O
InChIInChI=1S/C16H17NO3/c1-12(16(18)19)17-11-13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3,(H,18,19)
InChIKeyGTTOWGKUGILROH-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxyphenyl)methylamino]propanoic acid?
The IUPAC name of 2-[(3-phenoxyphenyl)methylamino]propanoic acid (CID 61499562) is 2-[(3-phenoxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-phenoxyphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-[(3-phenoxyphenyl)methylamino]propanoic acid is CC(NCc1cccc(Oc2ccccc2)c1)C(=O)O.
What is the InChIKey of 2-[(3-phenoxyphenyl)methylamino]propanoic acid?
The InChIKey is GTTOWGKUGILROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-12(16(18)19)17-11-13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-10,12,17H,11H2,1H3,(H,18,19).
What are the key properties of 2-[(3-phenoxyphenyl)methylamino]propanoic acid?
2-[(3-phenoxyphenyl)methylamino]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 61499562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).