3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C24H19F2NO5 — CID 170882190

IUPAC3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC(Cc1c(O)ccc(F)c1F)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19F2NO5/c25-19-9-10-21(28)17(22(19)26)11-20(23(29)30)27-24(31)32-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-10,18,20,28H,11-12H2,(H,27,31)(H,29,30)
InChIKeyYWCOUIABSLROKV-UHFFFAOYSA-N
MW439.41 g/mol
LogP4.20
Rot. Bonds6

About 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 170882190) has the molecular formula C24H19F2NO5 and a molecular weight of 439.41 g/mol. Its IUPAC name is 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
PubChem CID170882190
Molecular FormulaC24H19F2NO5
Molecular Weight439.41 g/mol
Exact Mass439.12
IUPAC Name3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC(Cc1c(O)ccc(F)c1F)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H19F2NO5/c25-19-9-10-21(28)17(22(19)26)11-20(23(29)30)27-24(31)32-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-10,18,20,28H,11-12H2,(H,27,31)(H,29,30)
InChIKeyYWCOUIABSLROKV-UHFFFAOYSA-N
XLogP4.20
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 154725096
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluoro-4-hydroxyphenyl)propanoic acid
CID 139211263
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-fluoro-2-hydroxyphenyl)propanoic acid
CID 155889570
3-(2,4-difluoro-3-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882353
3-(3,5-difluoro-2-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882115
3-(2,6-difluoro-4-phenylmethoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 174800117
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-phenylphenyl)propanoic acid
CID 53386994
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[5-(2-fluorophenyl)furan-2-yl]propanoic acid
CID 170882549
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluoro-3-methoxyphenyl)propanoic acid
CID 172894149
3-anthracen-9-yl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 4225821
3-(4-chloro-3-fluorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 90457414
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3-sulfophenyl)propanoic acid
CID 75627337

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 170882190) is 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is O=C(NC(Cc1c(O)ccc(F)c1F)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is YWCOUIABSLROKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2NO5/c25-19-9-10-21(28)17(22(19)26)11-20(23(29)30)27-24(31)32-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-10,18,20,28H,11-12H2,(H,27,31)(H,29,30).
What are the key properties of 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 439.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-6-hydroxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 170882190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).