2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid

C15H20N2O3 — CID 64618271

IUPAC2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(N(C)C(=O)N2CC(CC(=O)O)C2)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-10-4-5-13(11(2)6-10)16(3)15(20)17-8-12(9-17)7-14(18)19/h4-6,12H,7-9H2,1-3H3,(H,18,19)
InChIKeyHTDILJXWZPPELH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618271) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618271
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(N(C)C(=O)N2CC(CC(=O)O)C2)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-10-4-5-13(11(2)6-10)16(3)15(20)17-8-12(9-17)7-14(18)19/h4-6,12H,7-9H2,1-3H3,(H,18,19)
InChIKeyHTDILJXWZPPELH-UHFFFAOYSA-N
XLogP2.27
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid (CID 64618271) is 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid is Cc1ccc(N(C)C(=O)N2CC(CC(=O)O)C2)c(C)c1.
What is the InChIKey of 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is HTDILJXWZPPELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-4-5-13(11(2)6-10)16(3)15(20)17-8-12(9-17)7-14(18)19/h4-6,12H,7-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).