2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

C23H17F2NO5 — CID 167727046

IUPAC2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1c(F)cc(O)cc1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H17F2NO5/c24-18-9-12(27)10-19(25)20(18)21(22(28)29)26-23(30)31-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17,21,27H,11H2,(H,26,30)(H,28,29)
InChIKeyGSKPTYZWUSRKAL-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.33
Rot. Bonds5

About 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid

2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (PubChem CID 167727046) has the molecular formula C23H17F2NO5 and a molecular weight of 425.39 g/mol. Its IUPAC name is 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
PubChem CID167727046
Molecular FormulaC23H17F2NO5
Molecular Weight425.39 g/mol
Exact Mass425.11
IUPAC Name2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
SMILESO=C(NC(C(=O)O)c1c(F)cc(O)cc1F)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H17F2NO5/c24-18-9-12(27)10-19(25)20(18)21(22(28)29)26-23(30)31-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17,21,27H,11H2,(H,26,30)(H,28,29)
InChIKeyGSKPTYZWUSRKAL-UHFFFAOYSA-N
XLogP4.33
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluoro-4-hydroxyphenyl)propanoic acid
CID 139211263
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 103690241
2-[3-(difluoromethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103841374
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 154725096
2-(5-bromo-2-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165441428
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(furan-2-yl)acetic acid
CID 5047789
2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 24729690
2-(4,5-dibromothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 102841127
2-(3-bromo-5-methylthiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165439459
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
CID 51441106
(2R)-2-(1-benzofuran-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 167995343

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The IUPAC name of 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid (CID 167727046) is 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is O=C(NC(C(=O)O)c1c(F)cc(O)cc1F)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
The InChIKey is GSKPTYZWUSRKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2NO5/c24-18-9-12(27)10-19(25)20(18)21(22(28)29)26-23(30)31-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-10,17,21,27H,11H2,(H,26,30)(H,28,29).
What are the key properties of 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid?
2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid has a molecular weight of 425.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-4-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 167727046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).