9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate

C26H32N4O3 — CID 161115068

IUPAC9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate
SMILESC[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C26H32N4O3/c1-19(25(31)15-7-9-17-29-30-27)10-6-8-16-28-26(32)33-18-24-22-13-4-2-11-20(22)21-12-3-5-14-23(21)24/h2-5,11-14,19,24H,6-10,15-18H2,1H3,(H,28,32)/t19-/m0/s1
InChIKeyMMLGYUDGPVOCHX-IBGZPJMESA-N
MW448.57 g/mol
LogP6.38
Rot. Bonds13

About 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate

9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate (PubChem CID 161115068) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate
PubChem CID161115068
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate
SMILESC[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCN=[N+]=[N-]
InChIInChI=1S/C26H32N4O3/c1-19(25(31)15-7-9-17-29-30-27)10-6-8-16-28-26(32)33-18-24-22-13-4-2-11-20(22)21-12-3-5-14-23(21)24/h2-5,11-14,19,24H,6-10,15-18H2,1H3,(H,28,32)/t19-/m0/s1
InChIKeyMMLGYUDGPVOCHX-IBGZPJMESA-N
XLogP6.38
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[(5S)-1-amino-10-azido-6-oxodecan-5-yl]-3-azidopropanamide;bis[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-(3-azidopropanoylamino)-6-oxodecyl]carbamate;9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate;methane;sulfanylidene-[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 161115067
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
(2S)-6-azido-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 25146063
9H-fluoren-9-ylmethyl N-[(2S)-4-amino-1-(5-azidopentylamino)-1,4-dioxobutan-2-yl]carbamate
CID 11102647
methyl (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 75487884
[(2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl] (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 54560651
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242
(2R)-2-azido-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75409974
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride
CID 74765035
3-azidopropyl-[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilane;3-azidopropyl-chloro-dimethylsilane;3-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine;9H-fluoren-9-ylmethyl 5-[[3-azidopropyl(dimethyl)silyl]oxy-dimethylsilyl]pentanoate;9H-fluoren-9-ylmethyl N-[3-[chloro(dimethyl)silyl]propyl]carbamate;9H-fluoren-9-ylmethyl 5-[[[5-(9H-fluoren-9-ylmethoxy)-5-oxopentyl]-dimethylsilyl]oxy-dimethylsilyl]pentanoate
CID 158145644
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate (CID 161115068) is 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate is C[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCN=[N+]=[N-].
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate?
The InChIKey is MMLGYUDGPVOCHX-IBGZPJMESA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19(25(31)15-7-9-17-29-30-27)10-6-8-16-28-26(32)33-18-24-22-13-4-2-11-20(22)21-12-3-5-14-23(21)24/h2-5,11-14,19,24H,6-10,15-18H2,1H3,(H,28,32)/t19-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate?
9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate has a molecular weight of 448.57 g/mol, XLogP of 6.38, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(5S)-10-azido-5-methyl-6-oxodecyl]carbamate is sourced from PubChem (CID 161115068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).