2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid

C12H14FN3O4 — CID 107440293

IUPAC2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H14FN3O4/c13-8-2-1-3-9(4-8)15-11(18)6-16(5-10(14)17)7-12(19)20/h1-4H,5-7H2,(H2,14,17)(H,15,18)(H,19,20)
InChIKeyZPXXAIRCBNPGNG-UHFFFAOYSA-N
MW283.26 g/mol
LogP-0.36
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 107440293) has the molecular formula C12H14FN3O4 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid
PubChem CID107440293
Molecular FormulaC12H14FN3O4
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C12H14FN3O4/c13-8-2-1-3-9(4-8)15-11(18)6-16(5-10(14)17)7-12(19)20/h1-4H,5-7H2,(H2,14,17)(H,15,18)(H,19,20)
InChIKeyZPXXAIRCBNPGNG-UHFFFAOYSA-N
XLogP-0.36
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-fluoroanilino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262697
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
3-[(2-amino-2-oxoethyl)-(2-cyclohexylethyl)amino]-N-(3-fluorophenyl)propanamide
CID 86885988
2-[cyclopropylmethyl-[3-(3-fluoroanilino)-3-oxopropyl]amino]acetic acid
CID 43656451
2-[ethyl(2-methylprop-2-enyl)amino]-N-(3-fluorophenyl)acetamide
CID 78787752
2-[(2-amino-2-oxoethyl)-(3-anilino-3-oxopropyl)amino]acetic acid
CID 107440552
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(3-fluorophenyl)acetamide
CID 78962382
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid (CID 107440293) is 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid is NC(=O)CN(CC(=O)O)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is ZPXXAIRCBNPGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O4/c13-8-2-1-3-9(4-8)15-11(18)6-16(5-10(14)17)7-12(19)20/h1-4H,5-7H2,(H2,14,17)(H,15,18)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 283.26 g/mol, XLogP of -0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(3-fluoroanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 107440293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).