2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid

C13H25N3O3 — CID 116682803

IUPAC2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCCN(CC)CCNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-4-15(5-2)7-6-14-13(19)16-8-11(9-16)10(3)12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyAVGVDWBWUYHDKH-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.69
Rot. Bonds7

About 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid

2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116682803) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116682803
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCCN(CC)CCNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C13H25N3O3/c1-4-15(5-2)7-6-14-13(19)16-8-11(9-16)10(3)12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyAVGVDWBWUYHDKH-UHFFFAOYSA-N
XLogP0.69
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-(2-carbamoyloxyethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116683564
2-[1-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 116683202
2-[1-(4-propan-2-yloxybutylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106004575
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625
(3R)-1-[2-(diethylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119968
2-[1-(2-prop-2-enylsulfanylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 106430852
2-[1-(butan-2-ylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682729
2-hydroxy-4-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107840959
2-[1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683352

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid (CID 116682803) is 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid is CCN(CC)CCNC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is AVGVDWBWUYHDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-15(5-2)7-6-14-13(19)16-8-11(9-16)10(3)12(17)18/h10-11H,4-9H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).