tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate

C13H20N2O4 — CID 167260928

IUPACtert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1C(=O)[C@H]2CC[C@H]2C1=O
InChIInChI=1S/C13H20N2O4/c1-13(2,3)19-12(18)14-6-7-15-10(16)8-4-5-9(8)11(15)17/h8-9H,4-7H2,1-3H3,(H,14,18)/t8-,9+
InChIKeyGCBIFEFPFACEJF-DTORHVGOSA-N
MW268.31 g/mol
LogP0.91
Rot. Bonds3

About tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate

tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate (PubChem CID 167260928) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate
PubChem CID167260928
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nametert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1C(=O)[C@H]2CC[C@H]2C1=O
InChIInChI=1S/C13H20N2O4/c1-13(2,3)19-12(18)14-6-7-15-10(16)8-4-5-9(8)11(15)17/h8-9H,4-7H2,1-3H3,(H,14,18)/t8-,9+
InChIKeyGCBIFEFPFACEJF-DTORHVGOSA-N
XLogP0.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate with MolForge

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Related Compounds

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CID 101341777
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
tert-butyl N-[4-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-4-oxobutyl]carbamate
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tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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CID 166506435
tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
CID 68883286
tert-butyl N-[2-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]carbamate
CID 117274207
3-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-4-yl]propanoic acid
CID 90457179
tert-butyl N-[2-(2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate (CID 167260928) is tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1C(=O)[C@H]2CC[C@H]2C1=O.
What is the InChIKey of tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate?
The InChIKey is GCBIFEFPFACEJF-DTORHVGOSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(2,3)19-12(18)14-6-7-15-10(16)8-4-5-9(8)11(15)17/h8-9H,4-7H2,1-3H3,(H,14,18)/t8-,9+.
What are the key properties of tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate?
tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate has a molecular weight of 268.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate is sourced from PubChem (CID 167260928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).