2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid

C22H24O4 — CID 163288654

IUPAC2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
SMILESCCCCCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24O4/c1-2-3-4-13-19(21(23)24)22(25)26-14-20-17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12,19-20H,2-4,13-14H2,1H3,(H,23,24)
InChIKeyOXKHTSWKBLTKSX-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.62
Rot. Bonds8

About 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid

2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid (PubChem CID 163288654) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
PubChem CID163288654
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid
SMILESCCCCCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24O4/c1-2-3-4-13-19(21(23)24)22(25)26-14-20-17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12,19-20H,2-4,13-14H2,1H3,(H,23,24)
InChIKeyOXKHTSWKBLTKSX-UHFFFAOYSA-N
XLogP4.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

10-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)decanoic acid
CID 141018797
(2S)-12-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)dodecanoic acid
CID 97114140
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]heptanoic acid
CID 95565913
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270
9H-fluoren-9-ylmethyl N-(1-aminohexyl)carbamate
CID 66869994
(2R,3R)-3-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)pentanoic acid
CID 97114151
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;formamide
CID 131676586
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
2-[9H-fluoren-9-ylmethoxycarbonyl(methylsulfanyl)amino]hexanoic acid
CID 144717738
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)nonanoic acid
CID 95897978
2,6-diamino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 74001834

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid (CID 163288654) is 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid is CCCCCC(C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid?
The InChIKey is OXKHTSWKBLTKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-2-3-4-13-19(21(23)24)22(25)26-14-20-17-11-7-5-9-15(17)16-10-6-8-12-18(16)20/h5-12,19-20H,2-4,13-14H2,1H3,(H,23,24).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid has a molecular weight of 352.43 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonyl)heptanoic acid is sourced from PubChem (CID 163288654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).