2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid

C15H20N2O3 — CID 116682807

IUPAC2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc(NC(=O)N2CC(C(C)C(=O)O)C2)cc1C
InChIInChI=1S/C15H20N2O3/c1-9-4-5-13(6-10(9)2)16-15(20)17-7-12(8-17)11(3)14(18)19/h4-6,11-12H,7-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyVTEYSBBWHHBUHO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.49
Rot. Bonds3

About 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116682807) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116682807
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc(NC(=O)N2CC(C(C)C(=O)O)C2)cc1C
InChIInChI=1S/C15H20N2O3/c1-9-4-5-13(6-10(9)2)16-15(20)17-7-12(8-17)11(3)14(18)19/h4-6,11-12H,7-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyVTEYSBBWHHBUHO-UHFFFAOYSA-N
XLogP2.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-bromo-4-chlorophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683475
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682712
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981
2-[1-[(2,6-dichloro-3-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682753
2-[1-[(3-nitrophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681624
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
2-[1-[[4-(cyanomethyl)phenyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 116683256
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116682807) is 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid is Cc1ccc(NC(=O)N2CC(C(C)C(=O)O)C2)cc1C.
What is the InChIKey of 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is VTEYSBBWHHBUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-4-5-13(6-10(9)2)16-15(20)17-7-12(8-17)11(3)14(18)19/h4-6,11-12H,7-8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dimethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).