9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate

C24H27NO5 — CID 18394446

IUPAC9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
SMILESCC(C)(C)O[C@H]1CN[C@H](C(=O)OC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C24H27NO5/c1-24(2,3)30-15-12-21(25-13-15)22(26)29-23(27)28-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21,25H,12-14H2,1-3H3/t15-,21+/m1/s1
InChIKeyMXKWHOXPJDNWHG-VFNWGFHPSA-N
MW409.48 g/mol
LogP4.02
Rot. Bonds4

About 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate

9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate (PubChem CID 18394446) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
PubChem CID18394446
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
SMILESCC(C)(C)O[C@H]1CN[C@H](C(=O)OC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C24H27NO5/c1-24(2,3)30-15-12-21(25-13-15)22(26)29-23(27)28-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21,25H,12-14H2,1-3H3/t15-,21+/m1/s1
InChIKeyMXKWHOXPJDNWHG-VFNWGFHPSA-N
XLogP4.02
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-1,2-dicarboxylate
CID 153296870
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
CID 6957980
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
9H-fluoren-9-ylmethyl 4,4-dimethyl-3-oxopentanoate
CID 59055681
2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate
CID 126627659
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
(4-chlorophenyl)-[(2R,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methanone
CID 126669698
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate (CID 18394446) is 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate is CC(C)(C)O[C@H]1CN[C@H](C(=O)OC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate?
The InChIKey is MXKWHOXPJDNWHG-VFNWGFHPSA-N. The full InChI is InChI=1S/C24H27NO5/c1-24(2,3)30-15-12-21(25-13-15)22(26)29-23(27)28-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21,25H,12-14H2,1-3H3/t15-,21+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate?
9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate has a molecular weight of 409.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethoxycarbonyl (2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate is sourced from PubChem (CID 18394446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).