2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid

C9H15NO2 — CID 11557357

IUPAC2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid
SMILESNCC1(CC(=O)O)CC2CC2C1
InChIInChI=1S/C9H15NO2/c10-5-9(4-8(11)12)2-6-1-7(6)3-9/h6-7H,1-5,10H2,(H,11,12)
InChIKeyHZROAXDCVPLQAB-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.84
Rot. Bonds3

About 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid

2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid (PubChem CID 11557357) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid
PubChem CID11557357
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid
SMILESNCC1(CC(=O)O)CC2CC2C1
InChIInChI=1S/C9H15NO2/c10-5-9(4-8(11)12)2-6-1-7(6)3-9/h6-7H,1-5,10H2,(H,11,12)
InChIKeyHZROAXDCVPLQAB-UHFFFAOYSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid?
The IUPAC name of 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid (CID 11557357) is 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid.
What is the SMILES notation for 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid?
The canonical SMILES for 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid is NCC1(CC(=O)O)CC2CC2C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid?
The InChIKey is HZROAXDCVPLQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c10-5-9(4-8(11)12)2-6-1-7(6)3-9/h6-7H,1-5,10H2,(H,11,12).
What are the key properties of 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid?
2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid has a molecular weight of 169.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-bicyclo[3.1.0]hexanyl]acetic acid is sourced from PubChem (CID 11557357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).