2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C10H17NO2 — CID 10375105

IUPAC2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN1[C@@H]2CC[C@H]1CC(CC(=O)O)C2
InChIInChI=1S/C10H17NO2/c1-11-8-2-3-9(11)5-7(4-8)6-10(12)13/h7-9H,2-6H2,1H3,(H,12,13)/t7?,8-,9+
InChIKeyCFLMZWGSEVZEHU-CBLAIPOGSA-N
MW183.25 g/mol
LogP1.33
Rot. Bonds2

About 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 10375105) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID10375105
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCN1[C@@H]2CC[C@H]1CC(CC(=O)O)C2
InChIInChI=1S/C10H17NO2/c1-11-8-2-3-9(11)5-7(4-8)6-10(12)13/h7-9H,2-6H2,1H3,(H,12,13)/t7?,8-,9+
InChIKeyCFLMZWGSEVZEHU-CBLAIPOGSA-N
XLogP1.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 10375105) is 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is CN1[C@@H]2CC[C@H]1CC(CC(=O)O)C2.
What is the InChIKey of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is CFLMZWGSEVZEHU-CBLAIPOGSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-8-2-3-9(11)5-7(4-8)6-10(12)13/h7-9H,2-6H2,1H3,(H,12,13)/t7?,8-,9+.
What are the key properties of 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 10375105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).