5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid

C8H14N2O2 — CID 67479652

IUPAC5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1CNCC12CC2
InChIInChI=1S/C8H14N2O2/c1-10(7(11)12)6-4-9-5-8(6)2-3-8/h6,9H,2-5H2,1H3,(H,11,12)
InChIKeyKRXVEBYZQWQGPH-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.35
Rot. Bonds1

About 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid

5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid (PubChem CID 67479652) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid
PubChem CID67479652
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid
SMILESCN(C(=O)O)C1CNCC12CC2
InChIInChI=1S/C8H14N2O2/c1-10(7(11)12)6-4-9-5-8(6)2-3-8/h6,9H,2-5H2,1H3,(H,11,12)
InChIKeyKRXVEBYZQWQGPH-UHFFFAOYSA-N
XLogP0.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid?
The IUPAC name of 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid (CID 67479652) is 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid.
What is the SMILES notation for 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid?
The canonical SMILES for 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid is CN(C(=O)O)C1CNCC12CC2.
What is the InChIKey of 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid?
The InChIKey is KRXVEBYZQWQGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-10(7(11)12)6-4-9-5-8(6)2-3-8/h6,9H,2-5H2,1H3,(H,11,12).
What are the key properties of 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid?
5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid has a molecular weight of 170.21 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-7-yl(methyl)carbamic acid is sourced from PubChem (CID 67479652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).