2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid

C14H18FNO3 — CID 113389381

IUPAC2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cccc(F)c1C(C)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H18FNO3/c1-9(16(8-13(17)18)10-6-7-10)14-11(15)4-3-5-12(14)19-2/h3-5,9-10H,6-8H2,1-2H3,(H,17,18)
InChIKeyROVUAXYZSONTCS-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.44
Rot. Bonds6

About 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid

2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid (PubChem CID 113389381) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid
PubChem CID113389381
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cccc(F)c1C(C)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H18FNO3/c1-9(16(8-13(17)18)10-6-7-10)14-11(15)4-3-5-12(14)19-2/h3-5,9-10H,6-8H2,1-2H3,(H,17,18)
InChIKeyROVUAXYZSONTCS-UHFFFAOYSA-N
XLogP2.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid (CID 113389381) is 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid is COc1cccc(F)c1C(C)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid?
The InChIKey is ROVUAXYZSONTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(16(8-13(17)18)10-6-7-10)14-11(15)4-3-5-12(14)19-2/h3-5,9-10H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid?
2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid has a molecular weight of 267.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 113389381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).