2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid

C26H24FNO6 — CID 170834715

IUPAC2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C26H24FNO6/c27-22-11-16(10-9-15(22)12-24(30)31)25(32)23(29)13-28-26(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,21,23,25,29,32H,12-14H2,(H,28,33)(H,30,31)
InChIKeyKCLOSNLINBHZCM-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.39
Rot. Bonds8

About 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid

2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid (PubChem CID 170834715) has the molecular formula C26H24FNO6 and a molecular weight of 465.48 g/mol. Its IUPAC name is 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid
PubChem CID170834715
Molecular FormulaC26H24FNO6
Molecular Weight465.48 g/mol
Exact Mass465.16
IUPAC Name2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F
InChIInChI=1S/C26H24FNO6/c27-22-11-16(10-9-15(22)12-24(30)31)25(32)23(29)13-28-26(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,21,23,25,29,32H,12-14H2,(H,28,33)(H,30,31)
InChIKeyKCLOSNLINBHZCM-UHFFFAOYSA-N
XLogP3.39
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3,4-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833755
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propyl]carbamate
CID 170834000
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-nitrophenyl]acetic acid
CID 170835132
9H-fluoren-9-ylmethyl N-[3-(3,4-diaminophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833851
(E)-3-[5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]prop-2-enoic acid
CID 170835029
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(3-phenylphenyl)propyl]carbamate
CID 170834973
9H-fluoren-9-ylmethyl N-[3-(3,5-difluoro-4-nitrophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834866
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833963
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833941
9H-fluoren-9-ylmethyl N-[3-(3-chloro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833770
4-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]phenyl]butanoic acid
CID 170835035
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-4-methylphenyl]propyl]carbamate
CID 170834112

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid (CID 170834715) is 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid is O=C(O)Cc1ccc(C(O)C(O)CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1F.
What is the InChIKey of 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid?
The InChIKey is KCLOSNLINBHZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO6/c27-22-11-16(10-9-15(22)12-24(30)31)25(32)23(29)13-28-26(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-11,21,23,25,29,32H,12-14H2,(H,28,33)(H,30,31).
What are the key properties of 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid?
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid has a molecular weight of 465.48 g/mol, XLogP of 3.39, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 170834715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).