2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid

C14H19N3O3 — CID 116682944

IUPAC2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCc2ccncc2)C1
InChIInChI=1S/C14H19N3O3/c1-10(13(18)19)12-8-17(9-12)14(20)16-7-4-11-2-5-15-6-3-11/h2-3,5-6,10,12H,4,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyUNZGLCWJYCJXES-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.99
Rot. Bonds5

About 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid

2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid (PubChem CID 116682944) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
PubChem CID116682944
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)NCCc2ccncc2)C1
InChIInChI=1S/C14H19N3O3/c1-10(13(18)19)12-8-17(9-12)14(20)16-7-4-11-2-5-15-6-3-11/h2-3,5-6,10,12H,4,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyUNZGLCWJYCJXES-UHFFFAOYSA-N
XLogP0.99
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
2-[1-[2-(4-chlorophenyl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682965
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
(3aR,4R,7S,7aS)-N-(2-pyridin-4-ylethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 155955584
2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114701386
2-[1-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106040822
N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258758
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-[(4-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106900508
2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683024
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid (CID 116682944) is 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)NCCc2ccncc2)C1.
What is the InChIKey of 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is UNZGLCWJYCJXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(13(18)19)12-8-17(9-12)14(20)16-7-4-11-2-5-15-6-3-11/h2-3,5-6,10,12H,4,7-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid?
2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).