tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate

C14H24N2O4 — CID 146560939

IUPACtert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)15-10-8-12(17)16(9-10)11-4-6-19-7-5-11/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyQJNRZODMYUNSIK-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.29
Rot. Bonds2

About tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 146560939) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
PubChem CID146560939
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)15-10-8-12(17)16(9-10)11-4-6-19-7-5-11/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyQJNRZODMYUNSIK-UHFFFAOYSA-N
XLogP1.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
tert-butyl N-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[1-(6-nitropiperidin-2-yl)-5-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
tert-butyl N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamate
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N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
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tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
CID 79462192
tert-butyl 3-[2-oxo-4-(prop-2-enoylamino)pyrrolidin-1-yl]azetidine-1-carboxylate
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tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate
CID 71145361

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate (CID 146560939) is tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CC(=O)N(C2CCOCC2)C1.
What is the InChIKey of tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is QJNRZODMYUNSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(18)15-10-8-12(17)16(9-10)11-4-6-19-7-5-11/h10-11H,4-9H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(oxan-4-yl)-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 146560939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).