3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C26H24N2O4 — CID 154577623

IUPAC3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC(CN1CCc2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O4/c29-25(30)23(15-28-14-13-17-7-1-6-12-24(17)28)27-26(31)32-16-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,22-23H,13-16H2,(H,27,31)(H,29,30)
InChIKeyAXCINLJASFNCKI-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.04
Rot. Bonds6

About 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 154577623) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
PubChem CID154577623
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(NC(CN1CCc2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O4/c29-25(30)23(15-28-14-13-17-7-1-6-12-24(17)28)27-26(31)32-16-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,22-23H,13-16H2,(H,27,31)(H,29,30)
InChIKeyAXCINLJASFNCKI-UHFFFAOYSA-N
XLogP4.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic 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

(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 51358311
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 156691470
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-pyrrolidin-1-ylbutanoic acid
CID 122240309
(2S,7S)-2,7-bis(9H-fluoren-9-ylmethoxycarbonylamino)oct-4-enedioic acid
CID 57135941
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydrazinylpropanoic acid
CID 175987234
(2S)-5-deuteriooxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
CID 175932295
2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;9H-fluoren-9-ylmethyl N-(4-oxohexan-3-yl)carbamate;methanamine
CID 160943823
3-(cyanomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103666994

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 154577623) is 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is O=C(NC(CN1CCc2ccccc21)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is AXCINLJASFNCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c29-25(30)23(15-28-14-13-17-7-1-6-12-24(17)28)27-26(31)32-16-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-12,22-23H,13-16H2,(H,27,31)(H,29,30).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 428.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 154577623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).