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

C28H35NO7 — CID 146471679

IUPAC2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(COCC(C)(C)OC1CCCCO1)C(=O)O
InChIInChI=1S/C28H35NO7/c1-28(2,36-25-14-8-9-15-34-25)18-33-17-24(26(30)31)29(3)27(32)35-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,23-25H,8-9,14-18H2,1-3H3,(H,30,31)
InChIKeyNVTIPPRFKOAYQA-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.66
Rot. Bonds10

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

2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid (PubChem CID 146471679) has the molecular formula C28H35NO7 and a molecular weight of 497.59 g/mol. Its IUPAC name is 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid.

Molecular Properties

Compound Name2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid
PubChem CID146471679
Molecular FormulaC28H35NO7
Molecular Weight497.59 g/mol
Exact Mass497.24
IUPAC Name2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(COCC(C)(C)OC1CCCCO1)C(=O)O
InChIInChI=1S/C28H35NO7/c1-28(2,36-25-14-8-9-15-34-25)18-33-17-24(26(30)31)29(3)27(32)35-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,23-25H,8-9,14-18H2,1-3H3,(H,30,31)
InChIKeyNVTIPPRFKOAYQA-UHFFFAOYSA-N
XLogP4.66
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid
CID 146471565
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[4-[methyl(oxan-2-yloxy)carbamoyl]phenyl]propanoic acid
CID 155695571
2-[9H-fluoren-9-ylmethoxycarbonyl(oxan-2-yl)amino]-3-[(3S)-3-(oxan-2-yloxy)butoxy]propanoic acid
CID 166790046
(2S)-3-cyclopropyloxy-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 156691049
3-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 155894800
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
(2S)-6-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]hexanoic acid
CID 102331202
(2S)-3-(4-chlorophenoxy)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoic acid
CID 146562456
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727
cyclooctyl (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-phenylbutanoate
CID 146517450
2-cyclopentyl-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 22259969
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-6-(2-oxopyrrolidin-1-yl)hexanoic acid
CID 169025356

Frequently Asked Questions

What is the IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid?
The IUPAC name of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid (CID 146471679) is 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid.
What is the SMILES notation for 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid?
The canonical SMILES for 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid is CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(COCC(C)(C)OC1CCCCO1)C(=O)O.
What is the InChIKey of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid?
The InChIKey is NVTIPPRFKOAYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35NO7/c1-28(2,36-25-14-8-9-15-34-25)18-33-17-24(26(30)31)29(3)27(32)35-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,23-25H,8-9,14-18H2,1-3H3,(H,30,31).
What are the key properties of 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid?
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid has a molecular weight of 497.59 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[2-methyl-2-(oxan-2-yloxy)propoxy]propanoic acid is sourced from PubChem (CID 146471679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).