2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid

C23H19NO4 — CID 2756084

IUPAC2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H19NO4/c25-22(26)13-15-9-11-16(12-10-15)24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKeyYRZJNRXNEUSRLW-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.67
Rot. Bonds5

About 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid

2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid (PubChem CID 2756084) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid
PubChem CID2756084
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H19NO4/c25-22(26)13-15-9-11-16(12-10-15)24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChIKeyYRZJNRXNEUSRLW-UHFFFAOYSA-N
XLogP4.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid (CID 2756084) is 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid?
The InChIKey is YRZJNRXNEUSRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c25-22(26)13-15-9-11-16(12-10-15)24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26).
What are the key properties of 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid?
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]acetic acid is sourced from PubChem (CID 2756084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).