2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid

C11H19NO2 — CID 68534251

IUPAC2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid
SMILESCC1(C)[C@H]2CC[C@](CN)(CC(=O)O)[C@@H]21
InChIInChI=1S/C11H19NO2/c1-10(2)7-3-4-11(6-12,9(7)10)5-8(13)14/h7,9H,3-6,12H2,1-2H3,(H,13,14)/t7-,9-,11+/m0/s1
InChIKeyQDAFOWRBCRPETR-OVYXKVPISA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds3

About 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid

2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid (PubChem CID 68534251) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid.

Molecular Properties

Compound Name2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid
PubChem CID68534251
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid
SMILESCC1(C)[C@H]2CC[C@](CN)(CC(=O)O)[C@@H]21
InChIInChI=1S/C11H19NO2/c1-10(2)7-3-4-11(6-12,9(7)10)5-8(13)14/h7,9H,3-6,12H2,1-2H3,(H,13,14)/t7-,9-,11+/m0/s1
InChIKeyQDAFOWRBCRPETR-OVYXKVPISA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid?
The IUPAC name of 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid (CID 68534251) is 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid.
What is the SMILES notation for 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid?
The canonical SMILES for 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid is CC1(C)[C@H]2CC[C@](CN)(CC(=O)O)[C@@H]21.
What is the InChIKey of 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid?
The InChIKey is QDAFOWRBCRPETR-OVYXKVPISA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)7-3-4-11(6-12,9(7)10)5-8(13)14/h7,9H,3-6,12H2,1-2H3,(H,13,14)/t7-,9-,11+/m0/s1.
What are the key properties of 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid?
2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid is sourced from PubChem (CID 68534251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).