2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

C24H20BrNO5 — CID 103663924

IUPAC2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESCOc1ccc(Br)cc1C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C24H20BrNO5/c1-30-21-11-10-14(25)12-19(21)22(23(27)28)26-24(29)31-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20,22H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyWTUTURXUEDDBAC-UHFFFAOYSA-N
MW482.33 g/mol
LogP5.12
Rot. Bonds6

About 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (PubChem CID 103663924) has the molecular formula C24H20BrNO5 and a molecular weight of 482.33 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
PubChem CID103663924
Molecular FormulaC24H20BrNO5
Molecular Weight482.33 g/mol
Exact Mass481.05
IUPAC Name2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESCOc1ccc(Br)cc1C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C24H20BrNO5/c1-30-21-11-10-14(25)12-19(21)22(23(27)28)26-24(29)31-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20,22H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyWTUTURXUEDDBAC-UHFFFAOYSA-N
XLogP5.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.33
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-2-(difluoromethoxy)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165442169
2-(5-bromo-2-methylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165441004
2-(5-bromo-2-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165441428
2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 24729690
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 103690241
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
CID 51441106
2-(3-bromo-5-methylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165439898
2-(3-bromo-5-methylthiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165439459
2-(2,3-dichlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103663760
2-(4,5-dibromothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 102841127
3-(5-bromo-2-fluorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 22309357
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid
CID 172569446

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (CID 103663924) is 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is COc1ccc(Br)cc1C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The InChIKey is WTUTURXUEDDBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO5/c1-30-21-11-10-14(25)12-19(21)22(23(27)28)26-24(29)31-13-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-12,20,22H,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid has a molecular weight of 482.33 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 103663924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).