methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate

C32H30N2O3 — CID 10791238

IUPACmethyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C32H30N2O3/c1-22(30(35)33-29(31(36)37-2)21-23-13-5-3-6-14-23)34-32(24-15-7-4-8-16-24)27-19-11-9-17-25(27)26-18-10-12-20-28(26)32/h3-20,22,29,34H,21H2,1-2H3,(H,33,35)/t22-,29-/m0/s1
InChIKeyWGJDATNBTLCSFD-ZTOMLWHTSA-N
MW490.60 g/mol
LogP4.84
Rot. Bonds8

About methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate

methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate (PubChem CID 10791238) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate
PubChem CID10791238
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC Namemethyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C32H30N2O3/c1-22(30(35)33-29(31(36)37-2)21-23-13-5-3-6-14-23)34-32(24-15-7-4-8-16-24)27-19-11-9-17-25(27)26-18-10-12-20-28(26)32/h3-20,22,29,34H,21H2,1-2H3,(H,33,35)/t22-,29-/m0/s1
InChIKeyWGJDATNBTLCSFD-ZTOMLWHTSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate (CID 10791238) is methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate?
The InChIKey is WGJDATNBTLCSFD-ZTOMLWHTSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-22(30(35)33-29(31(36)37-2)21-23-13-5-3-6-14-23)34-32(24-15-7-4-8-16-24)27-19-11-9-17-25(27)26-18-10-12-20-28(26)32/h3-20,22,29,34H,21H2,1-2H3,(H,33,35)/t22-,29-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate?
methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate has a molecular weight of 490.60 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-[[(2S)-2-[(9-phenylfluoren-9-yl)amino]propanoyl]amino]propanoate is sourced from PubChem (CID 10791238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).