9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate

C24H25NO6 — CID 14778072

IUPAC9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](OC(C)(C)C)[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO6/c1-14(31-24(2,3)4)20-21(26)30-23(28)25(20)22(27)29-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3/t14-,20+/m1/s1
InChIKeyJCXYJUMOCYVDPN-VLIAUNLRSA-N
MW423.47 g/mol
LogP4.49
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate

9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate (PubChem CID 14778072) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate
PubChem CID14778072
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](OC(C)(C)C)[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO6/c1-14(31-24(2,3)4)20-21(26)30-23(28)25(20)22(27)29-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3/t14-,20+/m1/s1
InChIKeyJCXYJUMOCYVDPN-VLIAUNLRSA-N
XLogP4.49
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl (2S)-3-hydroxy-2-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
CID 70953072
9H-fluoren-9-ylmethyl 2-amino-3-methylbutanoate
CID 4038449
9H-fluoren-9-ylmethyl (4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-1,3-oxazolidine-3-carboxylate
CID 165340462
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
tert-butyl 2-[(9H-fluoren-9-ylmethoxycarbonylamino)-(2-methylpropyl)amino]acetate
CID 101025397
1-O-tert-butyl 2-O-(9H-fluoren-9-ylmethyl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 100928046
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate
CID 158290286
9H-fluoren-9-ylmethyl (2S)-2-amino-2-(hydroxymethyl)-3-methylbutanoate
CID 175476365
9H-fluoren-9-ylmethyl (3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-2-oxobutanoate
CID 175773392
9H-fluoren-9-ylmethyl (4R)-4-[(tert-butyldisulfanyl)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 89396784
(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-4,4-dimethyl-3-(methylamino)pentanoic acid
CID 170896980

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate (CID 14778072) is 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate is C[C@@H](OC(C)(C)C)[C@H]1C(=O)OC(=O)N1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is JCXYJUMOCYVDPN-VLIAUNLRSA-N. The full InChI is InChI=1S/C24H25NO6/c1-14(31-24(2,3)4)20-21(26)30-23(28)25(20)22(27)29-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3/t14-,20+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate?
9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (4S)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-dioxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 14778072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).