1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate

C30H32O5 — CID 163757826

IUPAC1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate
SMILESCC(C)OC[C@@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1
InChIInChI=1S/C30H32O5/c1-21(2)33-19-23(30(32)35-18-22-10-4-3-5-11-22)16-17-29(31)34-20-28-26-14-8-6-12-24(26)25-13-7-9-15-27(25)28/h3-15,21,23,28H,16-20H2,1-2H3/t23-/m1/s1
InChIKeyATJUFEWJTMGWGP-HSZRJFAPSA-N
MW472.58 g/mol
LogP5.91
Rot. Bonds11

About 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate

1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate (PubChem CID 163757826) has the molecular formula C30H32O5 and a molecular weight of 472.58 g/mol. Its IUPAC name is 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate.

Molecular Properties

Compound Name1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate
PubChem CID163757826
Molecular FormulaC30H32O5
Molecular Weight472.58 g/mol
Exact Mass472.22
IUPAC Name1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate
SMILESCC(C)OC[C@@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1
InChIInChI=1S/C30H32O5/c1-21(2)33-19-23(30(32)35-18-22-10-4-3-5-11-22)16-17-29(31)34-20-28-26-14-8-6-12-24(26)25-13-7-9-15-27(25)28/h3-15,21,23,28H,16-20H2,1-2H3/t23-/m1/s1
InChIKeyATJUFEWJTMGWGP-HSZRJFAPSA-N
XLogP5.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.58
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate with MolForge

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Related Compounds

1-O-tert-butyl 4-O-(9H-fluoren-9-ylmethyl) 2-[3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]propyl]butanedioate
CID 165053014
dibenzyl (2S)-2-[[(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]pentanedioate
CID 166162374
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 75628880
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-phenylmethoxypentanoic acid
CID 10049854
(2S)-4-[3-(9H-fluoren-9-ylmethoxy)-3-oxopropoxy]-2-(phenylmethoxycarbonylamino)butanoic acid
CID 67865485
(4S)-4-amino-8-(9H-fluoren-9-ylmethoxy)-6-methyl-8-oxooctanoic acid
CID 75493019
2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-methylpentanoic acid
CID 58273355
benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
CID 66674263
benzyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxybutanoate
CID 66670922
benzyl (2S)-2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]propanoate
CID 169224942

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate?
The IUPAC name of 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate (CID 163757826) is 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate.
What is the SMILES notation for 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate?
The canonical SMILES for 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate is CC(C)OC[C@@H](CCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate?
The InChIKey is ATJUFEWJTMGWGP-HSZRJFAPSA-N. The full InChI is InChI=1S/C30H32O5/c1-21(2)33-19-23(30(32)35-18-22-10-4-3-5-11-22)16-17-29(31)34-20-28-26-14-8-6-12-24(26)25-13-7-9-15-27(25)28/h3-15,21,23,28H,16-20H2,1-2H3/t23-/m1/s1.
What are the key properties of 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate?
1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate has a molecular weight of 472.58 g/mol, XLogP of 5.91, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 5-O-(9H-fluoren-9-ylmethyl) (2R)-2-(propan-2-yloxymethyl)pentanedioate is sourced from PubChem (CID 163757826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).