[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate

C17H18N2O4 — CID 66880105

IUPAC[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)O[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C17H18N2O4/c20-15-9-10-16(21)19(15)13-7-4-8-14(13)23-17(22)18-11-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14H,4,7-8,11H2,(H,18,22)/t13-,14-/m0/s1
InChIKeyCEFOMLIVHPJWQE-KBPBESRZSA-N
MW314.34 g/mol
LogP1.76
Rot. Bonds4

About [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate

[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate (PubChem CID 66880105) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate.

Molecular Properties

Compound Name[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
PubChem CID66880105
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)O[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C17H18N2O4/c20-15-9-10-16(21)19(15)13-7-4-8-14(13)23-17(22)18-11-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14H,4,7-8,11H2,(H,18,22)/t13-,14-/m0/s1
InChIKeyCEFOMLIVHPJWQE-KBPBESRZSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxycyclohexyl) N-benzylcarbamate
CID 174552580
(2-aminocyclohexyl) N-benzylcarbamate
CID 107654721
[2-(methylamino)cyclohexyl] N-benzylcarbamate
CID 107654729
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
[(2R)-8-oxo-7-azatricyclo[7.2.1.02,7]dodecan-11-yl] N-benzylcarbamate
CID 53301160
trans-benzyl (1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
CID 66881534
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
CID 174732822
[3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl] N-benzylcarbamate
CID 175263184
[(3S,4S)-3-(hydroxymethyl)oxan-4-yl] N-benzylcarbamate
CID 70818689
[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate
CID 91333736
N-benzyl-2-(cyclobutylmethylamino)acetamide
CID 43298629
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate?
The IUPAC name of [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate (CID 66880105) is [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate.
What is the SMILES notation for [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate?
The canonical SMILES for [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate is O=C(NCc1ccccc1)O[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O.
What is the InChIKey of [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate?
The InChIKey is CEFOMLIVHPJWQE-KBPBESRZSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15-9-10-16(21)19(15)13-7-4-8-14(13)23-17(22)18-11-12-5-2-1-3-6-12/h1-3,5-6,9-10,13-14H,4,7-8,11H2,(H,18,22)/t13-,14-/m0/s1.
What are the key properties of [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate?
[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate has a molecular weight of 314.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate is sourced from PubChem (CID 66880105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).