2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid

C26H33NO3 — CID 123135970

IUPAC2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid
SMILESC=CCCCCCCC(C)(NCOCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C26H33NO3/c1-3-4-5-6-7-12-17-26(2,25(28)29)27-19-30-18-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24/h3,8-11,13-16,24,27H,1,4-7,12,17-19H2,2H3,(H,28,29)
InChIKeyZZPBOXDCSGVQEZ-UHFFFAOYSA-N
MW407.55 g/mol
LogP5.73
Rot. Bonds13

About 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid

2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid (PubChem CID 123135970) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid
PubChem CID123135970
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid
SMILESC=CCCCCCCC(C)(NCOCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C26H33NO3/c1-3-4-5-6-7-12-17-26(2,25(28)29)27-19-30-18-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24/h3,8-11,13-16,24,27H,1,4-7,12,17-19H2,2H3,(H,28,29)
InChIKeyZZPBOXDCSGVQEZ-UHFFFAOYSA-N
XLogP5.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid
CID 118797122
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhept-6-enoic acid
CID 53395080
(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]-2-methyldec-9-enoic acid
CID 122418787
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-7-imino-2-methylheptanoic acid
CID 118422935
(2S)-2-[[(2R)-5-(1-aminoethenylamino)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pentanoyl]amino]-2-methylhept-6-enoic acid
CID 161001822
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-prop-2-enoxypropanoic acid
CID 58027950
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
2-but-3-enyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid
CID 86280418
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enylhept-6-enoate
CID 68667175
(2S)-2-[9H-fluoren-9-yl(methoxycarbonyl)amino]non-8-enoic acid
CID 138544790
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
CID 25132218

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid (CID 123135970) is 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid is C=CCCCCCCC(C)(NCOCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid?
The InChIKey is ZZPBOXDCSGVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO3/c1-3-4-5-6-7-12-17-26(2,25(28)29)27-19-30-18-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24/h3,8-11,13-16,24,27H,1,4-7,12,17-19H2,2H3,(H,28,29).
What are the key properties of 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid?
2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid has a molecular weight of 407.55 g/mol, XLogP of 5.73, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid is sourced from PubChem (CID 123135970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).