9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate

C29H30N2O6 — CID 58757581

IUPAC9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate
SMILESCOc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)N2CCC[C@H]2CO)cc1OC
InChIInChI=1S/C29H30N2O6/c1-35-26-14-23(28(33)31-13-7-8-18(31)16-32)25(15-27(26)36-2)30-29(34)37-17-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h3-6,9-12,14-15,18,24,32H,7-8,13,16-17H2,1-2H3,(H,30,34)/t18-/m0/s1
InChIKeyUWVGRYBCSRBBGU-SFHVURJKSA-N
MW502.57 g/mol
LogP4.66
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate (PubChem CID 58757581) has the molecular formula C29H30N2O6 and a molecular weight of 502.57 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate
PubChem CID58757581
Molecular FormulaC29H30N2O6
Molecular Weight502.57 g/mol
Exact Mass502.21
IUPAC Name9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate
SMILESCOc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)N2CCC[C@H]2CO)cc1OC
InChIInChI=1S/C29H30N2O6/c1-35-26-14-23(28(33)31-13-7-8-18(31)16-32)25(15-27(26)36-2)30-29(34)37-17-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h3-6,9-12,14-15,18,24,32H,7-8,13,16-17H2,1-2H3,(H,30,34)/t18-/m0/s1
InChIKeyUWVGRYBCSRBBGU-SFHVURJKSA-N
XLogP4.66
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.57
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate with MolForge

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Related Compounds

2-[dihydroxy(phenyl)-λ4-sulfanyl]ethyl N-[5-[5-[5-[2-[dihydroxy(phenyl)-λ4-sulfanyl]ethoxycarbonylamino]-4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methoxyphenoxy]pentoxy]-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]carbamate
CID 58757587
prop-2-enyl N-[5-hydroxy-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]carbamate
CID 11002603
(2-amino-4,5-dimethoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210017
methyl 4-[5-(ethoxycarbonylamino)-4-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]butanoate
CID 156578587
2-[dihydroxy(phenyl)-λ4-sulfanyl]ethyl N-[2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate
CID 58757599
2-(pyridin-2-yldisulfanyl)propyl N-[5-(6,6-dimethylheptoxy)-2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]carbamate
CID 154621478
3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one
CID 138054672
[2-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 43421310
(4,5-dimethoxy-2-nitrophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 58757584
methyl 2-[[2-(hydroxymethyl)piperidine-1-carbothioyl]amino]-4,5-dimethoxybenzoate
CID 4892173
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115413023

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate (CID 58757581) is 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate is COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(C(=O)N2CCC[C@H]2CO)cc1OC.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate?
The InChIKey is UWVGRYBCSRBBGU-SFHVURJKSA-N. The full InChI is InChI=1S/C29H30N2O6/c1-35-26-14-23(28(33)31-13-7-8-18(31)16-32)25(15-27(26)36-2)30-29(34)37-17-24-21-11-5-3-9-19(21)20-10-4-6-12-22(20)24/h3-6,9-12,14-15,18,24,32H,7-8,13,16-17H2,1-2H3,(H,30,34)/t18-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate has a molecular weight of 502.57 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4,5-dimethoxyphenyl]carbamate is sourced from PubChem (CID 58757581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).