2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride

C7H11ClFNO2 — CID 135392726

IUPAC2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)C12CC(F)(C1)C2
InChIInChI=1S/C7H10FNO2.ClH/c8-7-1-6(2-7,3-7)4(9)5(10)11;/h4H,1-3,9H2,(H,10,11);1H
InChIKeyRLKODNJPSBVIAI-UHFFFAOYSA-N
MW195.62 g/mol
LogP0.71
Rot. Bonds2

About 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride

2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride (PubChem CID 135392726) has the molecular formula C7H11ClFNO2 and a molecular weight of 195.62 g/mol. Its IUPAC name is 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
PubChem CID135392726
Molecular FormulaC7H11ClFNO2
Molecular Weight195.62 g/mol
Exact Mass195.05
IUPAC Name2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)C12CC(F)(C1)C2
InChIInChI=1S/C7H10FNO2.ClH/c8-7-1-6(2-7,3-7)4(9)5(10)11;/h4H,1-3,9H2,(H,10,11);1H
InChIKeyRLKODNJPSBVIAI-UHFFFAOYSA-N
XLogP0.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetate
CID 122237354
(2S)-2-amino-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride
CID 16663637
2-(1-adamantyl)-2-aminoacetic acid;hydrochloride
CID 75301043
2-(1-adamantyl)-2-aminoacetic acid;dihydrochloride
CID 131675912
(2S)-2-amino-2-[(3S)-3,5-dihydroxy-1-adamantyl]acetic acid
CID 70881719
(2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid
CID 129392140
1-[amino(carboxy)methyl]cyclopropane-1-carboxylic acid
CID 22708862
(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride
CID 135392975
2-amino-2-(1-methoxycyclobutyl)acetic acid
CID 119032100
cis-(1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 71528633
cis-(1S,2S)-1-amino-2-[carboxy(hydroxy)methyl]-2-fluorocyclopropane-1-carboxylic acid;hydrochloride
CID 158499146
2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride
CID 167742178

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride (CID 135392726) is 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride is Cl.NC(C(=O)O)C12CC(F)(C1)C2.
What is the InChIKey of 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride?
The InChIKey is RLKODNJPSBVIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO2.ClH/c8-7-1-6(2-7,3-7)4(9)5(10)11;/h4H,1-3,9H2,(H,10,11);1H.
What are the key properties of 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride?
2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride has a molecular weight of 195.62 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)acetic acid;hydrochloride is sourced from PubChem (CID 135392726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).