2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid

C28H24N2O2 — CID 72545780

IUPAC2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)Cc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C28H24N2O2/c31-28(32)20-29(18-21-8-2-1-3-9-21)19-22-14-16-23(17-15-22)30-26-12-6-4-10-24(26)25-11-5-7-13-27(25)30/h1-17H,18-20H2,(H,31,32)
InChIKeyJDRORDMWTLIHMP-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.87
Rot. Bonds7

About 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid

2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid (PubChem CID 72545780) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid
PubChem CID72545780
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)Cc1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C28H24N2O2/c31-28(32)20-29(18-21-8-2-1-3-9-21)19-22-14-16-23(17-15-22)30-26-12-6-4-10-24(26)25-11-5-7-13-27(25)30/h1-17H,18-20H2,(H,31,32)
InChIKeyJDRORDMWTLIHMP-UHFFFAOYSA-N
XLogP5.87
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid (CID 72545780) is 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid is O=C(O)CN(Cc1ccccc1)Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid?
The InChIKey is JDRORDMWTLIHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-28(32)20-29(18-21-8-2-1-3-9-21)19-22-14-16-23(17-15-22)30-26-12-6-4-10-24(26)25-11-5-7-13-27(25)30/h1-17H,18-20H2,(H,31,32).
What are the key properties of 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid?
2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid has a molecular weight of 420.51 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(4-carbazol-9-ylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 72545780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).