5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

C20H21NO4 — CID 2756098

IUPAC5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO4/c22-19(23)11-5-6-12-21-20(24)25-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2,(H,21,24)(H,22,23)
InChIKeyULLSWWGYZWBPHK-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.78
Rot. Bonds7

About 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (PubChem CID 2756098) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
PubChem CID2756098
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H21NO4/c22-19(23)11-5-6-12-21-20(24)25-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2,(H,21,24)(H,22,23)
InChIKeyULLSWWGYZWBPHK-UHFFFAOYSA-N
XLogP3.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Fmoc-leucine
CID 1549133
(2R)-2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid
CID 1549477
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)leucine
CID 4308
1-(9H-Fluoren-9-ylmethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate
CID 100106
6-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 2756087
N-((9H-fluoren-9-ylmethoxy)carbonyl)-L-valine
CID 100115
FMOC-L-valine
CID 688217
N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-alanine
CID 6364642
Fmoc-Lys(Boc)-OH
CID 2724628
N-(9H-(2,7-Dimethylfluoren-9-ylmethoxy)carbonyl)leucine
CID 119365
(2R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid
CID 978332
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylbutanoic acid
CID 3296415

Frequently Asked Questions

What is the IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid (CID 2756098) is 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is O=C(O)CCCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
The InChIKey is ULLSWWGYZWBPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c22-19(23)11-5-6-12-21-20(24)25-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2,(H,21,24)(H,22,23).
What are the key properties of 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid?
5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid has a molecular weight of 339.39 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 2756098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).