tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate

C17H26N2O5 — CID 59681911

IUPACtert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate
SMILESC[C@@H]1C(=O)NC(=O)[C@H]1C(=O)C(NC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H26N2O5/c1-9-11(15(22)19-14(9)21)13(20)12(10-7-5-6-8-10)18-16(23)24-17(2,3)4/h9-12H,5-8H2,1-4H3,(H,18,23)(H,19,21,22)/t9-,11+,12?/m0/s1
InChIKeyBZUCWGRGUTYERP-WKAHHKJFSA-N
MW338.40 g/mol
LogP1.55
Rot. Bonds4

About tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate

tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate (PubChem CID 59681911) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate
PubChem CID59681911
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Nametert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate
SMILESC[C@@H]1C(=O)NC(=O)[C@H]1C(=O)C(NC(=O)OC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H26N2O5/c1-9-11(15(22)19-14(9)21)13(20)12(10-7-5-6-8-10)18-16(23)24-17(2,3)4/h9-12H,5-8H2,1-4H3,(H,18,23)(H,19,21,22)/t9-,11+,12?/m0/s1
InChIKeyBZUCWGRGUTYERP-WKAHHKJFSA-N
XLogP1.55
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate (CID 59681911) is tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate is C[C@@H]1C(=O)NC(=O)[C@H]1C(=O)C(NC(=O)OC(C)(C)C)C1CCCC1.
What is the InChIKey of tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate?
The InChIKey is BZUCWGRGUTYERP-WKAHHKJFSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-9-11(15(22)19-14(9)21)13(20)12(10-7-5-6-8-10)18-16(23)24-17(2,3)4/h9-12H,5-8H2,1-4H3,(H,18,23)(H,19,21,22)/t9-,11+,12?/m0/s1.
What are the key properties of tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate?
tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate has a molecular weight of 338.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopentyl-2-[(3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 59681911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).