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

C25H29NO4 — CID 118797122

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid
SMILESC=CCCCCCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H29NO4/c1-3-4-5-6-11-16-25(2,23(27)28)26-24(29)30-17-22-20-14-9-7-12-18(20)19-13-8-10-15-21(19)22/h3,7-10,12-15,22H,1,4-6,11,16-17H2,2H3,(H,26,29)(H,27,28)
InChIKeyWSTJGDVRPQAMSC-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.50
Rot. Bonds10

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

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid (PubChem CID 118797122) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid
PubChem CID118797122
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid
SMILESC=CCCCCCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H29NO4/c1-3-4-5-6-11-16-25(2,23(27)28)26-24(29)30-17-22-20-14-9-7-12-18(20)19-13-8-10-15-21(19)22/h3,7-10,12-15,22H,1,4-6,11,16-17H2,2H3,(H,26,29)(H,27,28)
InChIKeyWSTJGDVRPQAMSC-UHFFFAOYSA-N
XLogP5.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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

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
2-(9H-fluoren-9-ylmethoxymethylamino)-2-methyldec-9-enoic acid
CID 123135970
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-prop-2-enoxypropanoic acid
CID 58027950
2-but-3-enyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid
CID 86280418
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
CID 25132218
(2S)-5-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoic acid
CID 59827246
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
ethyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pent-4-enylhept-6-enoate
CID 68667175
3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
CID 104866483
(2S)-2-[[(2R)-5-(1-aminoethenylamino)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]pentanoyl]amino]-2-methylhept-6-enoic acid
CID 161001822

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid (CID 118797122) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid is C=CCCCCCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid?
The InChIKey is WSTJGDVRPQAMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-3-4-5-6-11-16-25(2,23(27)28)26-24(29)30-17-22-20-14-9-7-12-18(20)19-13-8-10-15-21(19)22/h3,7-10,12-15,22H,1,4-6,11,16-17H2,2H3,(H,26,29)(H,27,28).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylnon-8-enoic acid has a molecular weight of 407.51 g/mol, XLogP of 5.50, 10 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)-2-methylnon-8-enoic acid is sourced from PubChem (CID 118797122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).