9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate

C21H22N2O5 — CID 145385577

IUPAC9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate
SMILESNC(=O)C(=O)C(O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O5/c22-20(26)19(25)18(24)10-5-11-23-21(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18,24H,5,10-12H2,(H2,22,26)(H,23,27)
InChIKeyZGNBIHJMFUTWDW-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.72
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate

9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate (PubChem CID 145385577) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate
PubChem CID145385577
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate
SMILESNC(=O)C(=O)C(O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22N2O5/c22-20(26)19(25)18(24)10-5-11-23-21(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18,24H,5,10-12H2,(H2,22,26)(H,23,27)
InChIKeyZGNBIHJMFUTWDW-UHFFFAOYSA-N
XLogP1.72
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
9H-fluoren-9-ylmethyl N-[2-(4,4-dihydroxybutylamino)-2-oxoethyl]carbamate
CID 139455954
(2S)-2-azaniumyl-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 7019763
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate (CID 145385577) is 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate is NC(=O)C(=O)C(O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate?
The InChIKey is ZGNBIHJMFUTWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c22-20(26)19(25)18(24)10-5-11-23-21(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18,24H,5,10-12H2,(H2,22,26)(H,23,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate?
9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate has a molecular weight of 382.42 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(6-amino-4-hydroxy-5,6-dioxohexyl)carbamate is sourced from PubChem (CID 145385577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).