2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid

C22H20N2O3 — CID 90480064

IUPAC2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid
SMILESNCc1cccc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)c1
InChIInChI=1S/C22H20N2O3/c23-14-15-5-3-7-16(11-15)17-8-4-9-19(12-17)22(27)24-20-10-2-1-6-18(20)13-21(25)26/h1-12H,13-14,23H2,(H,24,27)(H,25,26)
InChIKeyVEQODTWEXCBUAZ-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid

2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid (PubChem CID 90480064) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid
PubChem CID90480064
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid
SMILESNCc1cccc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)c1
InChIInChI=1S/C22H20N2O3/c23-14-15-5-3-7-16(11-15)17-8-4-9-19(12-17)22(27)24-20-10-2-1-6-18(20)13-21(25)26/h1-12H,13-14,23H2,(H,24,27)(H,25,26)
InChIKeyVEQODTWEXCBUAZ-UHFFFAOYSA-N
XLogP3.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid (CID 90480064) is 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid is NCc1cccc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)c1.
What is the InChIKey of 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid?
The InChIKey is VEQODTWEXCBUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c23-14-15-5-3-7-16(11-15)17-8-4-9-19(12-17)22(27)24-20-10-2-1-6-18(20)13-21(25)26/h1-12H,13-14,23H2,(H,24,27)(H,25,26).
What are the key properties of 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid?
2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[3-(aminomethyl)phenyl]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 90480064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).