3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid

C27H27NO3 — CID 70613137

IUPAC3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(CCNC(=O)Cc2cccc3c2Cc2ccccc2-3)cc1)C(=O)O
InChIInChI=1S/C27H27NO3/c1-18(27(30)31)15-20-11-9-19(10-12-20)13-14-28-26(29)17-22-6-4-8-24-23-7-3-2-5-21(23)16-25(22)24/h2-12,18H,13-17H2,1H3,(H,28,29)(H,30,31)
InChIKeyGTBJAWYPOAPANB-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.42
Rot. Bonds8

About 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid

3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid (PubChem CID 70613137) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid
PubChem CID70613137
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid
SMILESCC(Cc1ccc(CCNC(=O)Cc2cccc3c2Cc2ccccc2-3)cc1)C(=O)O
InChIInChI=1S/C27H27NO3/c1-18(27(30)31)15-20-11-9-19(10-12-20)13-14-28-26(29)17-22-6-4-8-24-23-7-3-2-5-21(23)16-25(22)24/h2-12,18H,13-17H2,1H3,(H,28,29)(H,30,31)
InChIKeyGTBJAWYPOAPANB-UHFFFAOYSA-N
XLogP4.42
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate
CID 70612366
3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid
CID 70613807
1-(2-methylpropyl)-9H-fluorene
CID 87557268
2-(9H-fluoren-1-yl)acetamide
CID 22939017
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
ethyl 4-[2-[[2-(6,11-dihydrobenzo[c][1]benzoxepin-1-yl)acetyl]amino]ethyl]benzoate
CID 70612390
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553
3-[4-[2-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]cyclohexa-1,3-dien-1-yl]-2-methylpropanoic acid
CID 142053581
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
3-[[2-(9H-fluoren-1-ylmethoxy)-2-oxoacetyl]amino]propanoic acid
CID 23220870

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid (CID 70613137) is 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid is CC(Cc1ccc(CCNC(=O)Cc2cccc3c2Cc2ccccc2-3)cc1)C(=O)O.
What is the InChIKey of 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid?
The InChIKey is GTBJAWYPOAPANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c1-18(27(30)31)15-20-11-9-19(10-12-20)13-14-28-26(29)17-22-6-4-8-24-23-7-3-2-5-21(23)16-25(22)24/h2-12,18H,13-17H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid?
3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid has a molecular weight of 413.52 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 70613137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).