9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C29H36N2O5 — CID 140893871

IUPAC9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C29H36N2O5/c1-18(2)25(27(33)36-29(3,4)5)30-26(32)24-15-10-16-31(24)28(34)35-17-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,18,23-25H,10,15-17H2,1-5H3,(H,30,32)/t24-,25-/m0/s1
InChIKeyPPPFIUYGDUEGRS-DQEYMECFSA-N
MW492.62 g/mol
LogP4.88
Rot. Bonds6

About 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 140893871) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID140893871
Molecular FormulaC29H36N2O5
Molecular Weight492.62 g/mol
Exact Mass492.26
IUPAC Name9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C
InChIInChI=1S/C29H36N2O5/c1-18(2)25(27(33)36-29(3,4)5)30-26(32)24-15-10-16-31(24)28(34)35-17-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,18,23-25H,10,15-17H2,1-5H3,(H,30,32)/t24-,25-/m0/s1
InChIKeyPPPFIUYGDUEGRS-DQEYMECFSA-N
XLogP4.88
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 140893871) is 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is CC(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)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is PPPFIUYGDUEGRS-DQEYMECFSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-18(2)25(27(33)36-29(3,4)5)30-26(32)24-15-10-16-31(24)28(34)35-17-23-21-13-8-6-11-19(21)20-12-7-9-14-22(20)23/h6-9,11-14,18,23-25H,10,15-17H2,1-5H3,(H,30,32)/t24-,25-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S)-2-[[(2S)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 492.62 g/mol, XLogP of 4.88, 6 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)-3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 140893871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).