tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate

C15H24N2O5 — CID 59215934

IUPACtert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC(=O)N(CC2CCOCC2)C1=O
InChIInChI=1S/C15H24N2O5/c1-15(2,3)22-14(20)16-11-8-12(18)17(13(11)19)9-10-4-6-21-7-5-10/h10-11H,4-9H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyOZHZRKZGSOQTPX-NSHDSACASA-N
MW312.37 g/mol
LogP1.07
Rot. Bonds3

About tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate (PubChem CID 59215934) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate
PubChem CID59215934
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Nametert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC(=O)N(CC2CCOCC2)C1=O
InChIInChI=1S/C15H24N2O5/c1-15(2,3)22-14(20)16-11-8-12(18)17(13(11)19)9-10-4-6-21-7-5-10/h10-11H,4-9H2,1-3H3,(H,16,20)/t11-/m0/s1
InChIKeyOZHZRKZGSOQTPX-NSHDSACASA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate (CID 59215934) is tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC(=O)N(CC2CCOCC2)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate?
The InChIKey is OZHZRKZGSOQTPX-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N2O5/c1-15(2,3)22-14(20)16-11-8-12(18)17(13(11)19)9-10-4-6-21-7-5-10/h10-11H,4-9H2,1-3H3,(H,16,20)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(oxan-4-ylmethyl)-2,5-dioxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 59215934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).