9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate

C22H25NO3 — CID 130649597

IUPAC9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate
SMILESCC1CCCC1(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO3/c1-15-7-6-12-22(15,25)14-23-21(24)26-13-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,15,20,25H,6-7,12-14H2,1H3,(H,23,24)
InChIKeyXPOAGFSHZDSAPN-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.08
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate

9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate (PubChem CID 130649597) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate
PubChem CID130649597
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate
SMILESCC1CCCC1(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25NO3/c1-15-7-6-12-22(15,25)14-23-21(24)26-13-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,15,20,25H,6-7,12-14H2,1H3,(H,23,24)
InChIKeyXPOAGFSHZDSAPN-UHFFFAOYSA-N
XLogP4.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
CID 118380482
9H-fluoren-9-ylmethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65121619
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
CID 135186585
9H-fluoren-9-ylmethyl N-(dimethoxyphosphorylmethyl)carbamate
CID 15339929
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
trans-(1S,2R)-2-[[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193712
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
trans-(1R,2S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 23397419
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate
CID 129451733

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate (CID 130649597) is 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate is CC1CCCC1(O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate?
The InChIKey is XPOAGFSHZDSAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15-7-6-12-22(15,25)14-23-21(24)26-13-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,15,20,25H,6-7,12-14H2,1H3,(H,23,24).
What are the key properties of 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate?
9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate has a molecular weight of 351.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate is sourced from PubChem (CID 130649597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).