3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid

C25H23NO3 — CID 70613807

IUPAC3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(CCNC(=O)c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C25H23NO3/c27-24(28)13-12-17-8-10-18(11-9-17)14-15-26-25(29)22-7-3-6-21-20-5-2-1-4-19(20)16-23(21)22/h1-11H,12-16H2,(H,26,29)(H,27,28)
InChIKeyCMLYKHDOUVCGRI-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.25
Rot. Bonds7

About 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid

3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid (PubChem CID 70613807) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid
PubChem CID70613807
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(CCNC(=O)c2cccc3c2Cc2ccccc2-3)cc1
InChIInChI=1S/C25H23NO3/c27-24(28)13-12-17-8-10-18(11-9-17)14-15-26-25(29)22-7-3-6-21-20-5-2-1-4-19(20)16-23(21)22/h1-11H,12-16H2,(H,26,29)(H,27,28)
InChIKeyCMLYKHDOUVCGRI-UHFFFAOYSA-N
XLogP4.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromobutyl)-9H-fluorene-1-carboxamide
CID 121318737
3-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]-2-methylpropanoic acid
CID 70613137
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
N-(2,4,6-trioxo-5-phenyl-1,3-diazinan-5-yl)-9H-fluorene-1-carboxamide
CID 18408786
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
ethyl 7-[4-[2-[[2-(9H-fluoren-1-yl)acetyl]amino]ethyl]phenyl]heptanoate
CID 70612366
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 163619458
3-[4-[2-[[3-(diaminomethylideneamino)benzoyl]amino]ethyl]phenyl]propanoic acid
CID 21191385
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid (CID 70613807) is 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid is O=C(O)CCc1ccc(CCNC(=O)c2cccc3c2Cc2ccccc2-3)cc1.
What is the InChIKey of 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid?
The InChIKey is CMLYKHDOUVCGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c27-24(28)13-12-17-8-10-18(11-9-17)14-15-26-25(29)22-7-3-6-21-20-5-2-1-4-19(20)16-23(21)22/h1-11H,12-16H2,(H,26,29)(H,27,28).
What are the key properties of 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid?
3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid has a molecular weight of 385.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(9H-fluorene-1-carbonylamino)ethyl]phenyl]propanoic acid is sourced from PubChem (CID 70613807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).