2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid

C15H21N3O3 — CID 116683024

IUPAC2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCCN(Cc1ccncc1)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-3-17(8-12-4-6-16-7-5-12)15(21)18-9-13(10-18)11(2)14(19)20/h4-7,11,13H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyUKHSTTGSPCPINO-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.68
Rot. Bonds5

About 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683024) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683024
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCCN(Cc1ccncc1)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C15H21N3O3/c1-3-17(8-12-4-6-16-7-5-12)15(21)18-9-13(10-18)11(2)14(19)20/h4-7,11,13H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyUKHSTTGSPCPINO-UHFFFAOYSA-N
XLogP1.68
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682944
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 62637760
(2S)-1-[ethyl(pyridin-4-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61449819
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
5-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686367
2-[1-(1-pyridin-4-ylethyl)azetidin-3-yl]propanoic acid
CID 116684728
2-methyl-3-[propanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323325
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065620
(2R)-2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756242
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
(2S)-2-amino-N-ethyl-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 61163051

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116683024) is 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid is CCN(Cc1ccncc1)C(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is UKHSTTGSPCPINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-17(8-12-4-6-16-7-5-12)15(21)18-9-13(10-18)11(2)14(19)20/h4-7,11,13H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).