2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid

C13H15FN2O4 — CID 61021393

IUPAC2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O4/c1-2-16(8-12(18)19)11(17)7-15-13(20)9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyBRSVZJRQEYVBOJ-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.49
Rot. Bonds6

About 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid

2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 61021393) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
PubChem CID61021393
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O4/c1-2-16(8-12(18)19)11(17)7-15-13(20)9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,15,20)(H,18,19)
InChIKeyBRSVZJRQEYVBOJ-UHFFFAOYSA-N
XLogP0.49
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-fluorobenzoyl)amino]acetyl]-prop-2-enylamino]acetic acid
CID 79265565
2-fluoro-N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656549
N-[2-(diethylamino)-2-oxoethyl]-2-fluoro-6-hydroxybenzamide
CID 104917096
N-[2-[butyl(methyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995346
2-[ethyl-(3-fluoro-2-methylbenzoyl)amino]acetic acid
CID 122107483
ethyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78901913
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752
N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075663
N-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-2-fluorobenzamide
CID 26712476

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid (CID 61021393) is 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid is CCN(CC(=O)O)C(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is BRSVZJRQEYVBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-2-16(8-12(18)19)11(17)7-15-13(20)9-5-3-4-6-10(9)14/h3-6H,2,7-8H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid?
2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 282.27 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[(2-fluorobenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 61021393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).