2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid

C14H19N3O3 — CID 114701386

IUPAC2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1cnccc1CNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9-5-15-4-3-11(9)6-16-14(20)17-7-12(8-17)10(2)13(18)19/h3-5,10,12H,6-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJBJKDEMPQIENND-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.25
Rot. Bonds4

About 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 114701386) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
PubChem CID114701386
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1cnccc1CNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9-5-15-4-3-11(9)6-16-14(20)17-7-12(8-17)10(2)13(18)19/h3-5,10,12H,6-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJBJKDEMPQIENND-UHFFFAOYSA-N
XLogP1.25
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid (CID 114701386) is 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid is Cc1cnccc1CNC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is JBJKDEMPQIENND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-5-15-4-3-11(9)6-16-14(20)17-7-12(8-17)10(2)13(18)19/h3-5,10,12H,6-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 114701386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).