2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid

C12H14FNO2 — CID 43635152

IUPAC2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
SMILESO=C(O)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-8(2-4-10)9-5-11(6-9)14-7-12(15)16/h1-4,9,11,14H,5-7H2,(H,15,16)
InChIKeyOICDXBHWNRDBSA-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.75
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid

2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid (PubChem CID 43635152) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
PubChem CID43635152
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
SMILESO=C(O)CNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C12H14FNO2/c13-10-3-1-8(2-4-10)9-5-11(6-9)14-7-12(15)16/h1-4,9,11,14H,5-7H2,(H,15,16)
InChIKeyOICDXBHWNRDBSA-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
ethyl 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetate
CID 60811082
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-1-phenylethanol
CID 43635434
1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 113384067
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
2-[ethyl-[3-[[3-(4-fluorophenyl)cyclobutyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122015286
(2R)-2-[[3-(4-fluorophenyl)cyclobutyl]amino]-3-phenylpropanoic acid
CID 122037960
3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
CID 54904499
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
3-(4-fluorophenyl)-N-(2,2,3,3-tetrafluoropropyl)cyclobutan-1-amine
CID 103529409
2-[[3-(4-fluorophenyl)cyclobutyl]amino]hexanoic acid
CID 122039690

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid (CID 43635152) is 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid is O=C(O)CNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid?
The InChIKey is OICDXBHWNRDBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-3-1-8(2-4-10)9-5-11(6-9)14-7-12(15)16/h1-4,9,11,14H,5-7H2,(H,15,16).
What are the key properties of 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid?
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid has a molecular weight of 223.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 43635152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).