(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid

C26H24FNO4 — CID 154726183

IUPAC(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid
SMILESO=C(N[C@@H](CCCc1ccc(F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24FNO4/c27-18-14-12-17(13-15-18)6-5-11-24(25(29)30)28-26(31)32-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-4,7-10,12-15,23-24H,5-6,11,16H2,(H,28,31)(H,29,30)/t24-/m0/s1
InChIKeyKJWRTDHHQGWIHO-DEOSSOPVSA-N
MW433.48 g/mol
LogP5.14
Rot. Bonds8

About (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid (PubChem CID 154726183) has the molecular formula C26H24FNO4 and a molecular weight of 433.48 g/mol. Its IUPAC name is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid
PubChem CID154726183
Molecular FormulaC26H24FNO4
Molecular Weight433.48 g/mol
Exact Mass433.17
IUPAC Name(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid
SMILESO=C(N[C@@H](CCCc1ccc(F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24FNO4/c27-18-14-12-17(13-15-18)6-5-11-24(25(29)30)28-26(31)32-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-4,7-10,12-15,23-24H,5-6,11,16H2,(H,28,31)(H,29,30)/t24-/m0/s1
InChIKeyKJWRTDHHQGWIHO-DEOSSOPVSA-N
XLogP5.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(4-fluorophenyl)hexanoic acid
CID 171702896
CID 155889976
CID 155889976
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(3-methylphenyl)pentanoic acid
CID 154726742
CID 155890095
CID 155890095
(2S)-5-(3-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 154726576
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 118936086
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2H-tetrazol-5-yl)pentanoic acid
CID 165343891
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid?
The IUPAC name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid (CID 154726183) is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid.
What is the SMILES notation for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid?
The canonical SMILES for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid is O=C(N[C@@H](CCCc1ccc(F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid?
The InChIKey is KJWRTDHHQGWIHO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H24FNO4/c27-18-14-12-17(13-15-18)6-5-11-24(25(29)30)28-26(31)32-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-4,7-10,12-15,23-24H,5-6,11,16H2,(H,28,31)(H,29,30)/t24-/m0/s1.
What are the key properties of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid?
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid has a molecular weight of 433.48 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(4-fluorophenyl)pentanoic acid is sourced from PubChem (CID 154726183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).