(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate

C31H26NO4- — CID 7010389

IUPAC(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate
SMILESO=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27NO4/c33-29(34)19-28(30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)32-31(35)36-20-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)27/h1-18,27-28,30H,19-20H2,(H,32,35)(H,33,34)/p-1/t28-/m0/s1
InChIKeyGQRZIYGFRVKFSB-NDEPHWFRSA-M
MW476.55 g/mol
LogP4.87
Rot. Bonds8

About (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate

(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate (PubChem CID 7010389) has the molecular formula C31H26NO4- and a molecular weight of 476.55 g/mol. Its IUPAC name is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate.

Molecular Properties

Compound Name(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate
PubChem CID7010389
Molecular FormulaC31H26NO4-
Molecular Weight476.55 g/mol
Exact Mass476.19
IUPAC Name(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate
SMILESO=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27NO4/c33-29(34)19-28(30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)32-31(35)36-20-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)27/h1-18,27-28,30H,19-20H2,(H,32,35)(H,33,34)/p-1/t28-/m0/s1
InChIKeyGQRZIYGFRVKFSB-NDEPHWFRSA-M
XLogP4.87
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate 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

lithium (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 170576317
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-diphenylpropanoate
CID 75488026
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-hydroxyphenyl)propanoate
CID 7023348
(2R)-3-azaniumyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 6921835
(3S)-3-(3,4-dichlorophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7174494
(3S)-3-(2-bromophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7023384
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-prop-2-enoxybutanoate
CID 7021499
4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypentanoic acid
CID 4712559
(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
CID 70650161
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 165476001
3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]-4,4-difluorobutanoic acid
CID 165480222

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate?
The IUPAC name of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate (CID 7010389) is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate.
What is the SMILES notation for (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate?
The canonical SMILES for (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate is O=C([O-])C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate?
The InChIKey is GQRZIYGFRVKFSB-NDEPHWFRSA-M. The full InChI is InChI=1S/C31H27NO4/c33-29(34)19-28(30(21-11-3-1-4-12-21)22-13-5-2-6-14-22)32-31(35)36-20-27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)27/h1-18,27-28,30H,19-20H2,(H,32,35)(H,33,34)/p-1/t28-/m0/s1.
What are the key properties of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate?
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate has a molecular weight of 476.55 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-diphenylbutanoate is sourced from PubChem (CID 7010389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).