2-(3-aminocyclobutyl)-2-fluoroacetic acid

C6H10FNO2 — CID 146155614

IUPAC2-(3-aminocyclobutyl)-2-fluoroacetic acid
SMILESNC1CC(C(F)C(=O)O)C1
InChIInChI=1S/C6H10FNO2/c7-5(6(9)10)3-1-4(8)2-3/h3-5H,1-2,8H2,(H,9,10)
InChIKeyIDFBNEZTSRYLSW-UHFFFAOYSA-N
MW147.15 g/mol
LogP0.15
Rot. Bonds2

About 2-(3-aminocyclobutyl)-2-fluoroacetic acid

2-(3-aminocyclobutyl)-2-fluoroacetic acid (PubChem CID 146155614) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is 2-(3-aminocyclobutyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(3-aminocyclobutyl)-2-fluoroacetic acid
PubChem CID146155614
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Name2-(3-aminocyclobutyl)-2-fluoroacetic acid
SMILESNC1CC(C(F)C(=O)O)C1
InChIInChI=1S/C6H10FNO2/c7-5(6(9)10)3-1-4(8)2-3/h3-5H,1-2,8H2,(H,9,10)
InChIKeyIDFBNEZTSRYLSW-UHFFFAOYSA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylcyclohexyl)-2-fluoroacetic acid
CID 81358265
2-[3-(difluoromethyl)cyclobutyl]acetamide
CID 123369829
(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid
CID 129372213
2-fluoro-2-(3-methoxycyclohexyl)acetic acid
CID 106873222
2-fluoro-2-(4-methylcycloheptyl)acetic acid
CID 81358281
2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid
CID 81358386
4-amino-2-methylcyclopentane-1-carboxylic acid
CID 89122843
1-[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]-2,2-difluoroethanone
CID 130905866
2-(3-aminocyclohexyl)-2-hydroxyacetamide
CID 146666883
(2S)-2-[(1R,3R)-3-aminocyclohexyl]-2-hydroxyacetamide
CID 146666897
carbonic acid;cyclopropanamine
CID 70000861
adamantane;urea
CID 68761520

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclobutyl)-2-fluoroacetic acid?
The IUPAC name of 2-(3-aminocyclobutyl)-2-fluoroacetic acid (CID 146155614) is 2-(3-aminocyclobutyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(3-aminocyclobutyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(3-aminocyclobutyl)-2-fluoroacetic acid is NC1CC(C(F)C(=O)O)C1.
What is the InChIKey of 2-(3-aminocyclobutyl)-2-fluoroacetic acid?
The InChIKey is IDFBNEZTSRYLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2/c7-5(6(9)10)3-1-4(8)2-3/h3-5H,1-2,8H2,(H,9,10).
What are the key properties of 2-(3-aminocyclobutyl)-2-fluoroacetic acid?
2-(3-aminocyclobutyl)-2-fluoroacetic acid has a molecular weight of 147.15 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclobutyl)-2-fluoroacetic acid is sourced from PubChem (CID 146155614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).