2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid

C14H17FN2O3 — CID 64618666

IUPAC2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(C(=O)N1CC(CC(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-2-17(12-5-3-11(15)4-6-12)14(20)16-8-10(9-16)7-13(18)19/h3-6,10H,2,7-9H2,1H3,(H,18,19)
InChIKeyYPBDZFUNZRAEAR-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.18
Rot. Bonds4

About 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64618666) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64618666
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(C(=O)N1CC(CC(=O)O)C1)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O3/c1-2-17(12-5-3-11(15)4-6-12)14(20)16-8-10(9-16)7-13(18)19/h3-6,10H,2,7-9H2,1H3,(H,18,19)
InChIKeyYPBDZFUNZRAEAR-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64618666) is 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid is CCN(C(=O)N1CC(CC(=O)O)C1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is YPBDZFUNZRAEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-17(12-5-3-11(15)4-6-12)14(20)16-8-10(9-16)7-13(18)19/h3-6,10H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 280.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).