2-(benzylamino)-2-phenylacetic acid

C15H15NO2 — CID 2826470

IUPAC2-(benzylamino)-2-phenylacetic acid
SMILESO=C(O)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2/c17-15(18)14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,17,18)
InChIKeyLCRCODPYSHSWAR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.60
Rot. Bonds5

About 2-(benzylamino)-2-phenylacetic acid

2-(benzylamino)-2-phenylacetic acid (PubChem CID 2826470) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(benzylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(benzylamino)-2-phenylacetic acid
PubChem CID2826470
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2-(benzylamino)-2-phenylacetic acid
SMILESO=C(O)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2/c17-15(18)14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,17,18)
InChIKeyLCRCODPYSHSWAR-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-phenylacetic acid?
The IUPAC name of 2-(benzylamino)-2-phenylacetic acid (CID 2826470) is 2-(benzylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(benzylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(benzylamino)-2-phenylacetic acid is O=C(O)C(NCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-phenylacetic acid?
The InChIKey is LCRCODPYSHSWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-15(18)14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2,(H,17,18).
What are the key properties of 2-(benzylamino)-2-phenylacetic acid?
2-(benzylamino)-2-phenylacetic acid has a molecular weight of 241.29 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-phenylacetic acid is sourced from PubChem (CID 2826470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).