2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid

C24H21NO4 — CID 2756081

IUPAC2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C24H21NO4/c26-23(27)13-16-6-5-7-17(12-16)14-25-24(28)29-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChIKeyYQDLUJIUWRFNCH-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.35
Rot. Bonds6

About 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid

2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid (PubChem CID 2756081) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid
PubChem CID2756081
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C24H21NO4/c26-23(27)13-16-6-5-7-17(12-16)14-25-24(28)29-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChIKeyYQDLUJIUWRFNCH-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid (CID 2756081) is 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid is O=C(O)Cc1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid?
The InChIKey is YQDLUJIUWRFNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-23(27)13-16-6-5-7-17(12-16)14-25-24(28)29-15-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27).
What are the key properties of 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid?
2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid has a molecular weight of 387.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 2756081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).