3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid

C7H12N2O2 — CID 154998847

IUPAC3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid
SMILESO=C(O)NC1CC2CNCC21
InChIInChI=1S/C7H12N2O2/c10-7(11)9-6-1-4-2-8-3-5(4)6/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyYMWPKGRIVYARJK-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.14
Rot. Bonds1

About 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid

3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid (PubChem CID 154998847) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid.

Molecular Properties

Compound Name3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid
PubChem CID154998847
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid
SMILESO=C(O)NC1CC2CNCC21
InChIInChI=1S/C7H12N2O2/c10-7(11)9-6-1-4-2-8-3-5(4)6/h4-6,8-9H,1-3H2,(H,10,11)
InChIKeyYMWPKGRIVYARJK-UHFFFAOYSA-N
XLogP-0.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid?
The IUPAC name of 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid (CID 154998847) is 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid.
What is the SMILES notation for 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid?
The canonical SMILES for 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid is O=C(O)NC1CC2CNCC21.
What is the InChIKey of 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid?
The InChIKey is YMWPKGRIVYARJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7(11)9-6-1-4-2-8-3-5(4)6/h4-6,8-9H,1-3H2,(H,10,11).
What are the key properties of 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid?
3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid has a molecular weight of 156.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid is sourced from PubChem (CID 154998847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).