2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid

C13H16FNO5 — CID 81283722

IUPAC2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H16FNO5/c1-19-6-5-15(8-12(16)17)13(18)9-3-4-10(14)11(7-9)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyKMRJBLIIUGNJQI-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.01
Rot. Bonds7

About 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid

2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 81283722) has the molecular formula C13H16FNO5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID81283722
Molecular FormulaC13H16FNO5
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H16FNO5/c1-19-6-5-15(8-12(16)17)13(18)9-3-4-10(14)11(7-9)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyKMRJBLIIUGNJQI-UHFFFAOYSA-N
XLogP1.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-(4-fluoro-3-methoxybenzoyl)amino]acetic acid
CID 81283290
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[(4-fluoro-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 81283432
3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119189491
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-4-fluoro-3-methoxybenzamide
CID 81284884
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189296

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid (CID 81283722) is 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is KMRJBLIIUGNJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5/c1-19-6-5-15(8-12(16)17)13(18)9-3-4-10(14)11(7-9)20-2/h3-4,7H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid?
2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 285.27 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methoxybenzoyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 81283722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).