[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate

C23H26N2O5 — CID 178119297

IUPAC[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate
SMILESCOC(CNC(=O)OCC1c2ccccc2-c2ccccc21)OC(=O)N1CCCC1
InChIInChI=1S/C23H26N2O5/c1-28-21(30-23(27)25-12-6-7-13-25)14-24-22(26)29-15-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20-21H,6-7,12-15H2,1H3,(H,24,26)
InChIKeySQTINKFNMJHCJU-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.73
Rot. Bonds6

About [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate

[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate (PubChem CID 178119297) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate
PubChem CID178119297
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate
SMILESCOC(CNC(=O)OCC1c2ccccc2-c2ccccc21)OC(=O)N1CCCC1
InChIInChI=1S/C23H26N2O5/c1-28-21(30-23(27)25-12-6-7-13-25)14-24-22(26)29-15-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20-21H,6-7,12-15H2,1H3,(H,24,26)
InChIKeySQTINKFNMJHCJU-UHFFFAOYSA-N
XLogP3.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-oxo-4-piperidin-1-ylbutanoic acid
CID 155248442
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 156691470
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
methyl (3S)-3-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 11784622
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 122240309
9H-fluoren-9-ylmethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 124585179
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]pentanoic acid
CID 81064501
ethyl 4-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 66854441
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate?
The IUPAC name of [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate (CID 178119297) is [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate.
What is the SMILES notation for [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate?
The canonical SMILES for [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate is COC(CNC(=O)OCC1c2ccccc2-c2ccccc21)OC(=O)N1CCCC1.
What is the InChIKey of [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate?
The InChIKey is SQTINKFNMJHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-28-21(30-23(27)25-12-6-7-13-25)14-24-22(26)29-15-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20-21H,6-7,12-15H2,1H3,(H,24,26).
What are the key properties of [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate?
[2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methoxyethyl] pyrrolidine-1-carboxylate is sourced from PubChem (CID 178119297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).