(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid

C8H11F2NO2 — CID 98088562

IUPAC(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
SMILESN[C@H](C(=O)O)C1C[C@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C8H11F2NO2/c9-8(10)4-1-3(2-5(4)8)6(11)7(12)13/h3-6H,1-2,11H2,(H,12,13)/t4-,5-,6-/m0/s1
InChIKeyLSPFJWFRLLANOW-ZLUOBGJFSA-N
MW191.18 g/mol
LogP0.69
Rot. Bonds2

About (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid

(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid (PubChem CID 98088562) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
PubChem CID98088562
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
SMILESN[C@H](C(=O)O)C1C[C@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C8H11F2NO2/c9-8(10)4-1-3(2-5(4)8)6(11)7(12)13/h3-6H,1-2,11H2,(H,12,13)/t4-,5-,6-/m0/s1
InChIKeyLSPFJWFRLLANOW-ZLUOBGJFSA-N
XLogP0.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid (CID 98088562) is (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid is N[C@H](C(=O)O)C1C[C@H]2[C@H](C1)C2(F)F.
What is the InChIKey of (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid?
The InChIKey is LSPFJWFRLLANOW-ZLUOBGJFSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-8(10)4-1-3(2-5(4)8)6(11)7(12)13/h3-6H,1-2,11H2,(H,12,13)/t4-,5-,6-/m0/s1.
What are the key properties of (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid?
(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid has a molecular weight of 191.18 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid is sourced from PubChem (CID 98088562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).