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

C16H24N2O5 — CID 142867245

IUPACtert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)[C@H]1CC(=O)NC1=O)C1CCCC1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(22)18-12(9-6-4-5-7-9)13(20)10-8-11(19)17-14(10)21/h9-10,12H,4-8H2,1-3H3,(H,18,22)(H,17,19,21)/t10-,12+/m1/s1
InChIKeyZQJDMYVJVNLNGU-PWSUYJOCSA-N
MW324.38 g/mol
LogP1.30
Rot. Bonds4

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

tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate (PubChem CID 142867245) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate
PubChem CID142867245
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Nametert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)[C@H]1CC(=O)NC1=O)C1CCCC1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(22)18-12(9-6-4-5-7-9)13(20)10-8-11(19)17-14(10)21/h9-10,12H,4-8H2,1-3H3,(H,18,22)(H,17,19,21)/t10-,12+/m1/s1
InChIKeyZQJDMYVJVNLNGU-PWSUYJOCSA-N
XLogP1.30
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.30
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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Related Compounds

tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
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CID 75423323
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
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tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
CID 142933904
tert-butyl N-[(1S)-1-cyclohexyl-2-cyclopropyl-2-oxoethyl]carbamate;(2S)-2-cyclohexyl-1-cyclopropyl-2-isocyanatoethanone
CID 158464133
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604
tert-butyl N-[1-cyclobutyl-2-(2-methylhydrazinyl)-2-oxoethyl]carbamate
CID 116849479
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-oxocyclohexyl)acetate
CID 58911914
3-(2-methylpropanoyl)pyrrolidine-2,5-dione
CID 68572615
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
CID 130156540

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate (CID 142867245) is tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)N[C@H](C(=O)[C@H]1CC(=O)NC1=O)C1CCCC1.
What is the InChIKey of tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate?
The InChIKey is ZQJDMYVJVNLNGU-PWSUYJOCSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,3)23-15(22)18-12(9-6-4-5-7-9)13(20)10-8-11(19)17-14(10)21/h9-10,12H,4-8H2,1-3H3,(H,18,22)(H,17,19,21)/t10-,12+/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate?
tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate has a molecular weight of 324.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-cyclopentyl-2-[(3R)-2,5-dioxopyrrolidin-3-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 142867245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).