2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid

C8H13NO2 — CID 156540404

IUPAC2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
SMILESCC12CNC[C@H]1[C@@H]2CC(=O)O
InChIInChI=1S/C8H13NO2/c1-8-4-9-3-6(8)5(8)2-7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6-,8?/m0/s1
InChIKeyUEUSOEBZIWBOFP-AJFZSALYSA-N
MW155.20 g/mol
LogP0.32
Rot. Bonds2

About 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid

2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid (PubChem CID 156540404) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
PubChem CID156540404
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
SMILESCC12CNC[C@H]1[C@@H]2CC(=O)O
InChIInChI=1S/C8H13NO2/c1-8-4-9-3-6(8)5(8)2-7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6-,8?/m0/s1
InChIKeyUEUSOEBZIWBOFP-AJFZSALYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid?
The IUPAC name of 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid (CID 156540404) is 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid.
What is the SMILES notation for 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid?
The canonical SMILES for 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid is CC12CNC[C@H]1[C@@H]2CC(=O)O.
What is the InChIKey of 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid?
The InChIKey is UEUSOEBZIWBOFP-AJFZSALYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8-4-9-3-6(8)5(8)2-7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6-,8?/m0/s1.
What are the key properties of 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid?
2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid has a molecular weight of 155.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid is sourced from PubChem (CID 156540404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).