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

C12H14ClNO2 — CID 43635160

IUPAC2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
SMILESO=C(O)CNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClNO2/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)
InChIKeyAYAROXSDJXIFEG-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.26
Rot. Bonds4

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

2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid (PubChem CID 43635160) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
PubChem CID43635160
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
SMILESO=C(O)CNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClNO2/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)
InChIKeyAYAROXSDJXIFEG-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
[4-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]phenyl]methanol
CID 107229852
[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentyl]methanol
CID 115358767
[1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclohexyl]methanol
CID 103965853
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
CID 43635604
1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65107309
N-[3-(4-chlorophenyl)cyclobutyl]-2-cyanoacetamide
CID 166222343
3-[[3-(4-chlorophenyl)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
CID 104528160
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
CID 104530475
4-[[3-(4-chlorophenyl)cyclobutyl]amino]-3,3-dimethylbutan-1-ol
CID 104530299
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
CID 104530229

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid (CID 43635160) is 2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid is O=C(O)CNC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid?
The InChIKey is AYAROXSDJXIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/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-chlorophenyl)cyclobutyl]amino]acetic acid?
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid has a molecular weight of 239.70 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 43635160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).