tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate

C13H22N2O3 — CID 90326467

IUPACtert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate
SMILESCNC1=C(C(C)NC(=O)OC(C)(C)C)C(=O)CC1
InChIInChI=1S/C13H22N2O3/c1-8(15-12(17)18-13(2,3)4)11-9(14-5)6-7-10(11)16/h8,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyPKGKPRRPWAIGQO-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate

tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate (PubChem CID 90326467) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate
PubChem CID90326467
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nametert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate
SMILESCNC1=C(C(C)NC(=O)OC(C)(C)C)C(=O)CC1
InChIInChI=1S/C13H22N2O3/c1-8(15-12(17)18-13(2,3)4)11-9(14-5)6-7-10(11)16/h8,14H,6-7H2,1-5H3,(H,15,17)
InChIKeyPKGKPRRPWAIGQO-UHFFFAOYSA-N
XLogP1.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate (CID 90326467) is tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate is CNC1=C(C(C)NC(=O)OC(C)(C)C)C(=O)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate?
The InChIKey is PKGKPRRPWAIGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(15-12(17)18-13(2,3)4)11-9(14-5)6-7-10(11)16/h8,14H,6-7H2,1-5H3,(H,15,17).
What are the key properties of tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate?
tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate has a molecular weight of 254.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(methylamino)-5-oxocyclopenten-1-yl]ethyl]carbamate is sourced from PubChem (CID 90326467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).