2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid

C14H19FN2O2 — CID 107142864

IUPAC2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid
SMILESCc1cc(F)ccc1CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C14H19FN2O2/c1-10-6-12(15)3-2-11(10)4-5-17-14(7-13(18)19)8-16-9-14/h2-3,6,16-17H,4-5,7-9H2,1H3,(H,18,19)
InChIKeyAEMXSOVWVVYLEG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.08
Rot. Bonds6

About 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid

2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid (PubChem CID 107142864) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid
PubChem CID107142864
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid
SMILESCc1cc(F)ccc1CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C14H19FN2O2/c1-10-6-12(15)3-2-11(10)4-5-17-14(7-13(18)19)8-16-9-14/h2-3,6,16-17H,4-5,7-9H2,1H3,(H,18,19)
InChIKeyAEMXSOVWVVYLEG-UHFFFAOYSA-N
XLogP1.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid
CID 107142600
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
4-[2-(4-fluoro-2-methylphenyl)ethylamino]-3-hydroxybutanoic acid
CID 103257010
2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
CID 107142265
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 65063168
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142925
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243
2-[2-(4-fluoro-2-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978975
2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
CID 106401951
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103747121

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid (CID 107142864) is 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid is Cc1cc(F)ccc1CCNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid?
The InChIKey is AEMXSOVWVVYLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-10-6-12(15)3-2-11(10)4-5-17-14(7-13(18)19)8-16-9-14/h2-3,6,16-17H,4-5,7-9H2,1H3,(H,18,19).
What are the key properties of 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid?
2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid has a molecular weight of 266.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-fluoro-2-methylphenyl)ethylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).