2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid

C15H19ClN2O3 — CID 64618079

IUPAC2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C15H19ClN2O3/c1-10(12-3-5-13(16)6-4-12)17(2)15(21)18-8-11(9-18)7-14(19)20/h3-6,10-11H,7-9H2,1-2H3,(H,19,20)
InChIKeyWERHVXOKQGOWDY-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.86
Rot. Bonds4

About 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid

2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618079) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618079
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid
SMILESCC(c1ccc(Cl)cc1)N(C)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C15H19ClN2O3/c1-10(12-3-5-13(16)6-4-12)17(2)15(21)18-8-11(9-18)7-14(19)20/h3-6,10-11H,7-9H2,1-2H3,(H,19,20)
InChIKeyWERHVXOKQGOWDY-UHFFFAOYSA-N
XLogP2.86
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methylmorpholine-4-carboxamide
CID 115579428
2-[1-[1-(4-chlorophenyl)propan-2-yl]azetidin-3-yl]acetic acid
CID 114081581
1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62979247
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide
CID 79323070
2-[1-[(2,4-dimethylphenyl)-methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618271
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
2-[1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 112662795
2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055047
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
1-[1-(4-chlorophenyl)ethyl]-3,3-diethyl-1-methylurea
CID 115618579
2-[1-[1-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069288
N-[1-(4-chlorophenyl)ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylpropanamide
CID 46598913

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid (CID 64618079) is 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid is CC(c1ccc(Cl)cc1)N(C)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is WERHVXOKQGOWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10(12-3-5-13(16)6-4-12)17(2)15(21)18-8-11(9-18)7-14(19)20/h3-6,10-11H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid?
2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 310.78 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).