2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid

C25H29NO4 — CID 171060637

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid
SMILESCC(C)=CCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H29NO4/c1-17(2)10-4-3-5-15-23(24(27)28)26-25(29)30-16-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-14,22-23H,3-5,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyBGYZSXIPSUYADJ-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.50
Rot. Bonds9

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid (PubChem CID 171060637) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid
PubChem CID171060637
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid
SMILESCC(C)=CCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H29NO4/c1-17(2)10-4-3-5-15-23(24(27)28)26-25(29)30-16-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-14,22-23H,3-5,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyBGYZSXIPSUYADJ-UHFFFAOYSA-N
XLogP5.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)dodecanoic acid
CID 118098305
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxoheptanoic acid
CID 103819744
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 2756111
6-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 53394943
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanoic acid;formamide
CID 131676586
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)heptanedioic acid
CID 93478024
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-hydroxypentanoic acid
CID 171397165
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methylbut-2-enylsulfanyl)propanoic acid
CID 103666746
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)hexanoic acid;hydrochloride
CID 175987361
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)oct-7-ynoic acid
CID 25146167
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxypentanoic acid
CID 124508880
2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-iodoheptanoic acid
CID 19604102

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid (CID 171060637) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid is CC(C)=CCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid?
The InChIKey is BGYZSXIPSUYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-17(2)10-4-3-5-15-23(24(27)28)26-25(29)30-16-22-20-13-8-6-11-18(20)19-12-7-9-14-21(19)22/h6-14,22-23H,3-5,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid has a molecular weight of 407.51 g/mol, XLogP of 5.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-8-methylnon-7-enoic acid is sourced from PubChem (CID 171060637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).