2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid

C23H19NO5 — CID 68802627

IUPAC2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid
SMILESO=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1
InChIInChI=1S/C23H19NO5/c25-16-7-5-6-15(12-16)24(13-22(26)27)23(28)29-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21,25H,13-14H2,(H,26,27)
InChIKeyVQDITGXVDPDCLK-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.23
Rot. Bonds5

About 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid

2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid (PubChem CID 68802627) has the molecular formula C23H19NO5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid
PubChem CID68802627
Molecular FormulaC23H19NO5
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid
SMILESO=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1
InChIInChI=1S/C23H19NO5/c25-16-7-5-6-15(12-16)24(13-22(26)27)23(28)29-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21,25H,13-14H2,(H,26,27)
InChIKeyVQDITGXVDPDCLK-UHFFFAOYSA-N
XLogP4.23
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
CID 54097976
2-[(2-aminoacetyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 174985189
2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 176719721
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
9H-fluoren-9-ylmethyl N-phenyl-N-trimethylsilylcarbamate
CID 54486413
2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
2-[9H-fluoren-9-ylmethoxycarbonyl(2-pyridin-4-ylethyl)amino]acetic acid
CID 171703087
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454

Frequently Asked Questions

What is the IUPAC name of 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid?
The IUPAC name of 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid (CID 68802627) is 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid.
What is the SMILES notation for 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid?
The canonical SMILES for 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid is O=C(O)CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(O)c1.
What is the InChIKey of 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid?
The InChIKey is VQDITGXVDPDCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5/c25-16-7-5-6-15(12-16)24(13-22(26)27)23(28)29-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21,25H,13-14H2,(H,26,27).
What are the key properties of 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid?
2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid has a molecular weight of 389.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(9H-fluoren-9-ylmethoxycarbonyl)-3-hydroxyanilino]acetic acid is sourced from PubChem (CID 68802627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).