(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid

C25H23NO3 — CID 15045083

IUPAC(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid
SMILESO=C(CCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C25H23NO3/c27-24(26-23(25(28)29)16-17-8-2-1-3-9-17)15-14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,27)(H,28,29)/t23-/m0/s1
InChIKeyJVGRYCIEHGVZNG-QHCPKHFHSA-N
MW385.46 g/mol
LogP4.39
Rot. Bonds7

About (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid

(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid (PubChem CID 15045083) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid
PubChem CID15045083
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid
SMILESO=C(CCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C25H23NO3/c27-24(26-23(25(28)29)16-17-8-2-1-3-9-17)15-14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,27)(H,28,29)/t23-/m0/s1
InChIKeyJVGRYCIEHGVZNG-QHCPKHFHSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic 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-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
(2S)-2-[3-(oxan-4-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366510
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenylpropanoic acid
CID 14259874
2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 120580724
(2R)-2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367062
(2S)-2-[3-(5-oxopyrrolidin-2-yl)propanoylamino]-3-phenylpropanoic acid
CID 54551434
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 162640819
(2S)-2-[[2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 97081857
2-[(4-oxo-4-phenylbutanoyl)amino]-3-phenylpropanoic acid
CID 13294988
(2S)-2-(4-oxobutanoylamino)-3-phenylpropanoic acid
CID 58235472
(2R)-2-[[8-(hydroxyamino)-8-oxooctanoyl]amino]-3-phenylpropanoic acid
CID 11024167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid (CID 15045083) is (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid is O=C(CCC1c2ccccc2-c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid?
The InChIKey is JVGRYCIEHGVZNG-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23NO3/c27-24(26-23(25(28)29)16-17-8-2-1-3-9-17)15-14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,27)(H,28,29)/t23-/m0/s1.
What are the key properties of (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid?
(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid has a molecular weight of 385.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 15045083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).