9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C27H32N2O5 — CID 146167339

IUPAC9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C27H32N2O5/c1-17(25(31)34-27(2,3)4)28-24(30)23-14-9-15-29(23)26(32)33-16-22-20-12-7-5-10-18(20)19-11-6-8-13-21(19)22/h5-8,10-13,17,22-23H,9,14-16H2,1-4H3,(H,28,30)/t17-,23-/m0/s1
InChIKeyOTLKFSGJSXZMIT-SBUREZEXSA-N
MW464.56 g/mol
LogP4.25
Rot. Bonds5

About 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 146167339) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID146167339
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C27H32N2O5/c1-17(25(31)34-27(2,3)4)28-24(30)23-14-9-15-29(23)26(32)33-16-22-20-12-7-5-10-18(20)19-11-6-8-13-21(19)22/h5-8,10-13,17,22-23H,9,14-16H2,1-4H3,(H,28,30)/t17-,23-/m0/s1
InChIKeyOTLKFSGJSXZMIT-SBUREZEXSA-N
XLogP4.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 146167339) is 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is OTLKFSGJSXZMIT-SBUREZEXSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-17(25(31)34-27(2,3)4)28-24(30)23-14-9-15-29(23)26(32)33-16-22-20-12-7-5-10-18(20)19-11-6-8-13-21(19)22/h5-8,10-13,17,22-23H,9,14-16H2,1-4H3,(H,28,30)/t17-,23-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 464.56 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 146167339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).