2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid

C12H21NO2 — CID 129304447

IUPAC2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESCCC1C[C@@H]2C[C@](CN)(CC(=O)O)[C@@H]2C1
InChIInChI=1S/C12H21NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h8-10H,2-7,13H2,1H3,(H,14,15)/t8?,9-,10-,12-/m1/s1
InChIKeyNMAZIMFHSCGBFT-ABUFBFTASA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds4

About 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid

2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid (PubChem CID 129304447) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid
PubChem CID129304447
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid
SMILESCCC1C[C@@H]2C[C@](CN)(CC(=O)O)[C@@H]2C1
InChIInChI=1S/C12H21NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h8-10H,2-7,13H2,1H3,(H,14,15)/t8?,9-,10-,12-/m1/s1
InChIKeyNMAZIMFHSCGBFT-ABUFBFTASA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid?
The IUPAC name of 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid (CID 129304447) is 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid.
What is the SMILES notation for 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid?
The canonical SMILES for 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid is CCC1C[C@@H]2C[C@](CN)(CC(=O)O)[C@@H]2C1.
What is the InChIKey of 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid?
The InChIKey is NMAZIMFHSCGBFT-ABUFBFTASA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h8-10H,2-7,13H2,1H3,(H,14,15)/t8?,9-,10-,12-/m1/s1.
What are the key properties of 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid?
2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid has a molecular weight of 211.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]heptanyl]acetic acid is sourced from PubChem (CID 129304447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).