2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid

C27H33NO7 — CID 146471565

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid
SMILESCC(C)(COCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OC1CCCCO1
InChIInChI=1S/C27H33NO7/c1-27(2,35-24-13-7-8-14-33-24)17-32-16-23(25(29)30)28-26(31)34-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,22-24H,7-8,13-17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyWHPCJCIFPDVWCA-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.32
Rot. Bonds10

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid (PubChem CID 146471565) has the molecular formula C27H33NO7 and a molecular weight of 483.56 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid
PubChem CID146471565
Molecular FormulaC27H33NO7
Molecular Weight483.56 g/mol
Exact Mass483.23
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid
SMILESCC(C)(COCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OC1CCCCO1
InChIInChI=1S/C27H33NO7/c1-27(2,35-24-13-7-8-14-33-24)17-32-16-23(25(29)30)28-26(31)34-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,22-24H,7-8,13-17H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyWHPCJCIFPDVWCA-UHFFFAOYSA-N
XLogP4.32
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid with MolForge

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Related Compounds

2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid
CID 146471679
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
oxan-2-yl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(3S)-3-(oxan-2-yloxy)butoxy]propanoate
CID 156903462
(2S)-3-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 18397404
(2S)-3-[2-(tert-butylamino)-2-oxoethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 142490864
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-oxolan-2-yl]propanoic acid
CID 165445682
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(methylamino)-2-oxoethoxy]propanoic acid
CID 154928808
2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxy-5-methylhexanoic acid
CID 103033871
(2S)-3-acetyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7018824
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trimethylsilylpropanoic acid
CID 165351061
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxypropanoic acid
CID 71482939
3-cyclopropyloxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 156691122

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid (CID 146471565) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid is CC(C)(COCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)OC1CCCCO1.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid?
The InChIKey is WHPCJCIFPDVWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO7/c1-27(2,35-24-13-7-8-14-33-24)17-32-16-23(25(29)30)28-26(31)34-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h3-6,9-12,22-24H,7-8,13-17H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid has a molecular weight of 483.56 g/mol, XLogP of 4.32, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid is sourced from PubChem (CID 146471565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).