cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid

C26H34N2O5 — CID 171935119

IUPACcyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.NC1CCCCC1
InChIInChI=1S/C20H21NO5.C6H13N/c1-25-11-10-21(12-19(22)23)20(24)26-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;7-6-4-2-1-3-5-6/h2-9,18H,10-13H2,1H3,(H,22,23);6H,1-5,7H2
InChIKeyQMSMHQGDASSNHQ-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.25
Rot. Bonds7

About cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid

cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid (PubChem CID 171935119) has the molecular formula C26H34N2O5 and a molecular weight of 454.57 g/mol. Its IUPAC name is cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Namecyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid
PubChem CID171935119
Molecular FormulaC26H34N2O5
Molecular Weight454.57 g/mol
Exact Mass454.25
IUPAC Namecyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.NC1CCCCC1
InChIInChI=1S/C20H21NO5.C6H13N/c1-25-11-10-21(12-19(22)23)20(24)26-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;7-6-4-2-1-3-5-6/h2-9,18H,10-13H2,1H3,(H,22,23);6H,1-5,7H2
InChIKeyQMSMHQGDASSNHQ-UHFFFAOYSA-N
XLogP4.25
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9H-fluoren-9-ylmethoxycarbonyl(2-phenylmethoxyethyl)amino]acetic acid
CID 101481949
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
2-[9H-fluoren-9-ylmethoxycarbonyl-[2-[2-(methylamino)ethoxy]ethyl]amino]acetic acid
CID 156691934
2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 178194071
2-[3-(difluoromethoxy)propyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 172529362
2-[9H-fluoren-9-ylmethoxycarbonyl(2-pyridin-4-ylethyl)amino]acetic acid
CID 171703087
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
CID 10836802
2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
2-[9H-fluoren-9-ylmethoxycarbonyl(2-naphthalen-2-ylethyl)amino]acetic acid
CID 172529758
2-[9H-fluoren-9-ylmethoxycarbonyl(3-morpholin-4-ylpropyl)amino]acetic acid
CID 172529253
2-[2-(4,4-difluoropiperidin-1-yl)ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 142490916
2-[2-(3,4-difluorophenyl)ethyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 177277839

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid?
The IUPAC name of cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid (CID 171935119) is cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid?
The InChIKey is QMSMHQGDASSNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5.C6H13N/c1-25-11-10-21(12-19(22)23)20(24)26-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18;7-6-4-2-1-3-5-6/h2-9,18H,10-13H2,1H3,(H,22,23);6H,1-5,7H2.
What are the key properties of cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid?
cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid has a molecular weight of 454.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 171935119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).