butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate

C11H20N2O2 — CID 154382947

IUPACbutyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
SMILESCCCCOC(=O)N[C@@H]1CNCC12CC2
InChIInChI=1S/C11H20N2O2/c1-2-3-6-15-10(14)13-9-7-12-8-11(9)4-5-11/h9,12H,2-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyYYEFORGJTKPHBC-SECBINFHSA-N
MW212.29 g/mol
LogP1.26
Rot. Bonds4

About butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate

butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate (PubChem CID 154382947) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
PubChem CID154382947
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namebutyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate
SMILESCCCCOC(=O)N[C@@H]1CNCC12CC2
InChIInChI=1S/C11H20N2O2/c1-2-3-6-15-10(14)13-9-7-12-8-11(9)4-5-11/h9,12H,2-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyYYEFORGJTKPHBC-SECBINFHSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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butyl N-butoxycarbonyl-N-(butoxycarbonylamino)carbamate
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heptyl N-[(3R)-2-oxoazetidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate?
The IUPAC name of butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate (CID 154382947) is butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate.
What is the SMILES notation for butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate?
The canonical SMILES for butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate is CCCCOC(=O)N[C@@H]1CNCC12CC2.
What is the InChIKey of butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate?
The InChIKey is YYEFORGJTKPHBC-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-3-6-15-10(14)13-9-7-12-8-11(9)4-5-11/h9,12H,2-8H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate?
butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(7S)-5-azaspiro[2.4]heptan-7-yl]carbamate is sourced from PubChem (CID 154382947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).