2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride

C8H12ClF2NO2 — CID 167742178

IUPAC2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)C1CC2C(C1)C2(F)F
InChIInChI=1S/C8H11F2NO2.ClH/c9-8(10)4-1-3(2-5(4)8)6(11)7(12)13;/h3-6H,1-2,11H2,(H,12,13);1H
InChIKeyCLSHGWDWORVYLI-UHFFFAOYSA-N
MW227.64 g/mol
LogP1.11
Rot. Bonds2

About 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride

2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride (PubChem CID 167742178) has the molecular formula C8H12ClF2NO2 and a molecular weight of 227.64 g/mol. Its IUPAC name is 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride
PubChem CID167742178
Molecular FormulaC8H12ClF2NO2
Molecular Weight227.64 g/mol
Exact Mass227.05
IUPAC Name2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)C1CC2C(C1)C2(F)F
InChIInChI=1S/C8H11F2NO2.ClH/c9-8(10)4-1-3(2-5(4)8)6(11)7(12)13;/h3-6H,1-2,11H2,(H,12,13);1H
InChIKeyCLSHGWDWORVYLI-UHFFFAOYSA-N
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.64
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 98088562
(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride
CID 135392975
6,6-difluorobicyclo[3.1.0]hexane-3-carbaldehyde;2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)propanoic acid
CID 160638769
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-2-(prop-2-enoxycarbonylamino)acetic acid
CID 167720188
2-amino-2-(3-oxocyclobutyl)acetic acid
CID 121208056
(2S)-2-amino-2-(3-oxocyclobutyl)acetic acid
CID 129493888
2-amino-2-(5-methyloxolan-3-yl)acetic acid
CID 170558301
2-amino-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetic acid
CID 57096388
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
2-amino-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)acetic acid
CID 175065777
(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
CID 58242042
(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride (CID 167742178) is 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride is Cl.NC(C(=O)O)C1CC2C(C1)C2(F)F.
What is the InChIKey of 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride?
The InChIKey is CLSHGWDWORVYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2.ClH/c9-8(10)4-1-3(2-5(4)8)6(11)7(12)13;/h3-6H,1-2,11H2,(H,12,13);1H.
What are the key properties of 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride?
2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride has a molecular weight of 227.64 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride is sourced from PubChem (CID 167742178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).