4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid

C24H21NO4 — CID 17040212

IUPAC4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid
SMILESO=C(NCCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO4/c26-23(27)17-11-9-16(10-12-17)13-14-25-24(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChIKeyBYXHJLWUYIRBIB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.47
Rot. Bonds6

About 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid

4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid (PubChem CID 17040212) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid
PubChem CID17040212
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid
SMILESO=C(NCCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO4/c26-23(27)17-11-9-16(10-12-17)13-14-25-24(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChIKeyBYXHJLWUYIRBIB-UHFFFAOYSA-N
XLogP4.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid?
The IUPAC name of 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid (CID 17040212) is 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid is O=C(NCCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid?
The InChIKey is BYXHJLWUYIRBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-23(27)17-11-9-16(10-12-17)13-14-25-24(28)29-15-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27).
What are the key properties of 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid?
4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid has a molecular weight of 387.44 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]benzoic acid is sourced from PubChem (CID 17040212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).