3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid

C24H20FNO5 — CID 53398437

IUPAC3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
SMILESO=C(NC(c1ccc(F)cc1)C(O)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20FNO5/c25-15-11-9-14(10-12-15)21(22(27)23(28)29)26-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-22,27H,13H2,(H,26,30)(H,28,29)
InChIKeySQZGPGBZYHBPSB-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.85
Rot. Bonds6

About 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid

3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid (PubChem CID 53398437) has the molecular formula C24H20FNO5 and a molecular weight of 421.42 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
PubChem CID53398437
Molecular FormulaC24H20FNO5
Molecular Weight421.42 g/mol
Exact Mass421.13
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
SMILESO=C(NC(c1ccc(F)cc1)C(O)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H20FNO5/c25-15-11-9-14(10-12-15)21(22(27)23(28)29)26-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-22,27H,13H2,(H,26,30)(H,28,29)
InChIKeySQZGPGBZYHBPSB-UHFFFAOYSA-N
XLogP3.85
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic 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,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
CID 70650161
(2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 2762365
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
CID 53398472
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-naphthalen-2-ylpropanoic acid
CID 42550507
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid
CID 154726183
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(4-fluorophenyl)hexanoic acid
CID 171702896
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
4-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2,3-dihydroxy-4-oxobutanoic acid
CID 67089528
2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 24729690
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid (CID 53398437) is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid is O=C(NC(c1ccc(F)cc1)C(O)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
The InChIKey is SQZGPGBZYHBPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO5/c25-15-11-9-14(10-12-15)21(22(27)23(28)29)26-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-22,27H,13H2,(H,26,30)(H,28,29).
What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid?
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid has a molecular weight of 421.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 53398437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).