(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid

C36H39NO5Si — CID 73054939

IUPAC(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C36H39NO5Si/c1-25(23-42-43(36(2,3)4,26-15-7-5-8-16-26)27-17-9-6-10-18-27)33(34(38)39)37-35(40)41-24-32-30-21-13-11-19-28(30)29-20-12-14-22-31(29)32/h5-22,25,32-33H,23-24H2,1-4H3,(H,37,40)(H,38,39)/t25-,33-/m1/s1
InChIKeyOFOLLRUHBISQQF-INJOXJOKSA-N
MW593.80 g/mol
LogP6.19
Rot. Bonds10

About (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid

(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid (PubChem CID 73054939) has the molecular formula C36H39NO5Si and a molecular weight of 593.80 g/mol. Its IUPAC name is (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
PubChem CID73054939
Molecular FormulaC36H39NO5Si
Molecular Weight593.80 g/mol
Exact Mass593.26
IUPAC Name(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C36H39NO5Si/c1-25(23-42-43(36(2,3)4,26-15-7-5-8-16-26)27-17-9-6-10-18-27)33(34(38)39)37-35(40)41-24-32-30-21-13-11-19-28(30)29-20-12-14-22-31(29)32/h5-22,25,32-33H,23-24H2,1-4H3,(H,37,40)(H,38,39)/t25-,33-/m1/s1
InChIKeyOFOLLRUHBISQQF-INJOXJOKSA-N
XLogP6.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.80
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic 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

(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid
CID 16743318
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanedioic acid
CID 69296136
(3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 59669590
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
(2S,3S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-oxopentanoic acid
CID 102324396
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid
CID 6992534
(2S)-4-amino-3-[tert-butyl(dimethyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoic acid
CID 59669456
3-(cyclopropanecarbonylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid;2,2-dimethylpropane
CID 142383210
9H-fluoren-9-ylmethyl N-[1-[3-[tert-butyl(diphenyl)silyl]oxypropylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 58841936
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75110601
(2S,3S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methylpentanoic acid
CID 11729562

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid?
The IUPAC name of (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid (CID 73054939) is (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid?
The InChIKey is OFOLLRUHBISQQF-INJOXJOKSA-N. The full InChI is InChI=1S/C36H39NO5Si/c1-25(23-42-43(36(2,3)4,26-15-7-5-8-16-26)27-17-9-6-10-18-27)33(34(38)39)37-35(40)41-24-32-30-21-13-11-19-28(30)29-20-12-14-22-31(29)32/h5-22,25,32-33H,23-24H2,1-4H3,(H,37,40)(H,38,39)/t25-,33-/m1/s1.
What are the key properties of (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid?
(2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid has a molecular weight of 593.80 g/mol, XLogP of 6.19, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 73054939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).