[(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid

C12H20N2O3 — CID 68700059

IUPAC[(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(CC23CCC(CC2)O3)C1
InChIInChI=1S/C12H20N2O3/c15-11(16)13-9-3-6-14(7-9)8-12-4-1-10(17-12)2-5-12/h9-10,13H,1-8H2,(H,15,16)/t9-,10?,12?/m1/s1
InChIKeyDJMNYSOKGXSEEK-GRZMOONWSA-N
MW240.30 g/mol
LogP1.04
Rot. Bonds3

About [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid

[(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 68700059) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid
PubChem CID68700059
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name[(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(CC23CCC(CC2)O3)C1
InChIInChI=1S/C12H20N2O3/c15-11(16)13-9-3-6-14(7-9)8-12-4-1-10(17-12)2-5-12/h9-10,13H,1-8H2,(H,15,16)/t9-,10?,12?/m1/s1
InChIKeyDJMNYSOKGXSEEK-GRZMOONWSA-N
XLogP1.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid (CID 68700059) is [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCN(CC23CCC(CC2)O3)C1.
What is the InChIKey of [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is DJMNYSOKGXSEEK-GRZMOONWSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(16)13-9-3-6-14(7-9)8-12-4-1-10(17-12)2-5-12/h9-10,13H,1-8H2,(H,15,16)/t9-,10?,12?/m1/s1.
What are the key properties of [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid?
[(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 240.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(7-oxabicyclo[2.2.1]heptan-1-ylmethyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 68700059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).