[(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate

C25H26N2O6 — CID 22876191

IUPAC[(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H]1CC(=O)NC1=O
InChIInChI=1S/C25H26N2O6/c1-3-14(2)22(24(30)33-20-12-21(28)26-23(20)29)27-25(31)32-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20,22H,3,12-13H2,1-2H3,(H,27,31)(H,26,28,29)/t14-,20-,22-/m0/s1
InChIKeyDWNHTYHIQYZFDI-FSJXIACGSA-N
MW450.49 g/mol
LogP2.90
Rot. Bonds7

About [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate

[(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate (PubChem CID 22876191) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate.

Molecular Properties

Compound Name[(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
PubChem CID22876191
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name[(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
SMILESCC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H]1CC(=O)NC1=O
InChIInChI=1S/C25H26N2O6/c1-3-14(2)22(24(30)33-20-12-21(28)26-23(20)29)27-25(31)32-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20,22H,3,12-13H2,1-2H3,(H,27,31)(H,26,28,29)/t14-,20-,22-/m0/s1
InChIKeyDWNHTYHIQYZFDI-FSJXIACGSA-N
XLogP2.90
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate 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,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992514
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992511
methyl (2S)-2-[[(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-3-methylbutanoate
CID 10528214
2-[[(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]acetic acid
CID 129412621
2-[[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]acetic acid
CID 129412620
(2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoic acid;1H-pyridin-2-one
CID 70089356
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851
9H-fluoren-9-ylmethyl N-[(2S)-1-fluoro-3-methyl-1-oxobutan-2-yl]carbamate
CID 14777674
(2S,3S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methylpentanoic acid
CID 11729562
3-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 75110601
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963

Frequently Asked Questions

What is the IUPAC name of [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate?
The IUPAC name of [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate (CID 22876191) is [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate.
What is the SMILES notation for [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate?
The canonical SMILES for [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate is CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O[C@H]1CC(=O)NC1=O.
What is the InChIKey of [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate?
The InChIKey is DWNHTYHIQYZFDI-FSJXIACGSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-3-14(2)22(24(30)33-20-12-21(28)26-23(20)29)27-25(31)32-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20,22H,3,12-13H2,1-2H3,(H,27,31)(H,26,28,29)/t14-,20-,22-/m0/s1.
What are the key properties of [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate?
[(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate has a molecular weight of 450.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2,5-dioxopyrrolidin-3-yl] (2S,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate is sourced from PubChem (CID 22876191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).