2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid

C11H19NO2 — CID 142181198

IUPAC2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)CC2CCCC[C@@H]21
InChIInChI=1S/C11H19NO2/c12-7-11(6-10(13)14)5-8-3-1-2-4-9(8)11/h8-9H,1-7,12H2,(H,13,14)/t8?,9-,11-/m0/s1
InChIKeyLZBLSYMXABKJKB-PCFYAGROSA-N
MW197.28 g/mol
LogP1.62
Rot. Bonds3

About 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid

2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid (PubChem CID 142181198) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid.

Molecular Properties

Compound Name2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
PubChem CID142181198
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
SMILESNC[C@@]1(CC(=O)O)CC2CCCC[C@@H]21
InChIInChI=1S/C11H19NO2/c12-7-11(6-10(13)14)5-8-3-1-2-4-9(8)11/h8-9H,1-7,12H2,(H,13,14)/t8?,9-,11-/m0/s1
InChIKeyLZBLSYMXABKJKB-PCFYAGROSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid?
The IUPAC name of 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid (CID 142181198) is 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid.
What is the SMILES notation for 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid?
The canonical SMILES for 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid is NC[C@@]1(CC(=O)O)CC2CCCC[C@@H]21.
What is the InChIKey of 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid?
The InChIKey is LZBLSYMXABKJKB-PCFYAGROSA-N. The full InChI is InChI=1S/C11H19NO2/c12-7-11(6-10(13)14)5-8-3-1-2-4-9(8)11/h8-9H,1-7,12H2,(H,13,14)/t8?,9-,11-/m0/s1.
What are the key properties of 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid?
2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid is sourced from PubChem (CID 142181198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).