2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid

C15H21N3O3 — CID 106760393

IUPAC2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)Nc2ccccc2N(C)C)C1
InChIInChI=1S/C15H21N3O3/c1-10(14(19)20)11-8-18(9-11)15(21)16-12-6-4-5-7-13(12)17(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyGBETVNJXBNNHOW-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 106760393) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID106760393
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)Nc2ccccc2N(C)C)C1
InChIInChI=1S/C15H21N3O3/c1-10(14(19)20)11-8-18(9-11)15(21)16-12-6-4-5-7-13(12)17(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyGBETVNJXBNNHOW-UHFFFAOYSA-N
XLogP1.94
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682828
2-[1-[(2,3-dichlorophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682846
N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 70416652
2-cyclopropyl-2-[[2-(dimethylamino)phenyl]carbamoylamino]acetic acid
CID 106760371
2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682712
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682807
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
4-(2,2-difluoroethyl)-N-[2-(dimethylamino)phenyl]-1,4-diazepane-1-carboxamide
CID 75437516
2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683401
N-[2-(dimethylamino)phenyl]-2-methoxypropanamide
CID 47305682

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid (CID 106760393) is 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)Nc2ccccc2N(C)C)C1.
What is the InChIKey of 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is GBETVNJXBNNHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(14(19)20)11-8-18(9-11)15(21)16-12-6-4-5-7-13(12)17(2)3/h4-7,10-11H,8-9H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 106760393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).