1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid

C11H20N2O2 — CID 122669544

IUPAC1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid
SMILESCC(CN1C[C@@H]2CC[C@@H](C2)C1)NC(=O)O
InChIInChI=1S/C11H20N2O2/c1-8(12-11(14)15)5-13-6-9-2-3-10(4-9)7-13/h8-10,12H,2-7H2,1H3,(H,14,15)/t8?,9-,10+
InChIKeyPBDBJTKGUFQJEZ-PBINXNQUSA-N
MW212.29 g/mol
LogP1.37
Rot. Bonds3

About 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid

1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid (PubChem CID 122669544) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid
PubChem CID122669544
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid
SMILESCC(CN1C[C@@H]2CC[C@@H](C2)C1)NC(=O)O
InChIInChI=1S/C11H20N2O2/c1-8(12-11(14)15)5-13-6-9-2-3-10(4-9)7-13/h8-10,12H,2-7H2,1H3,(H,14,15)/t8?,9-,10+
InChIKeyPBDBJTKGUFQJEZ-PBINXNQUSA-N
XLogP1.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid?
The IUPAC name of 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid (CID 122669544) is 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid.
What is the SMILES notation for 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid?
The canonical SMILES for 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid is CC(CN1C[C@@H]2CC[C@@H](C2)C1)NC(=O)O.
What is the InChIKey of 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid?
The InChIKey is PBDBJTKGUFQJEZ-PBINXNQUSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(12-11(14)15)5-13-6-9-2-3-10(4-9)7-13/h8-10,12H,2-7H2,1H3,(H,14,15)/t8?,9-,10+.
What are the key properties of 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid?
1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid has a molecular weight of 212.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-ylcarbamic acid is sourced from PubChem (CID 122669544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).