[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

C13H14FN3O5 — CID 2548358

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCNC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O5/c1-15-13(21)17-10(18)7-22-11(19)6-16-12(20)8-3-2-4-9(14)5-8/h2-5H,6-7H2,1H3,(H,16,20)(H2,15,17,18,21)
InChIKeySGORSCHRHJNNFQ-UHFFFAOYSA-N
MW311.27 g/mol
LogP-0.45
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (PubChem CID 2548358) has the molecular formula C13H14FN3O5 and a molecular weight of 311.27 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
PubChem CID2548358
Molecular FormulaC13H14FN3O5
Molecular Weight311.27 g/mol
Exact Mass311.09
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
SMILESCNC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H14FN3O5/c1-15-13(21)17-10(18)7-22-11(19)6-16-12(20)8-3-2-4-9(14)5-8/h2-5H,6-7H2,1H3,(H,16,20)(H2,15,17,18,21)
InChIKeySGORSCHRHJNNFQ-UHFFFAOYSA-N
XLogP-0.45
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662487
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662792
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548489
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
[2-(4-chloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 2548549
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662599
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884698
[2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 16598734
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662881
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662810
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662788
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885614

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate (CID 2548358) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is CNC(=O)NC(=O)COC(=O)CNC(=O)c1cccc(F)c1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
The InChIKey is SGORSCHRHJNNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O5/c1-15-13(21)17-10(18)7-22-11(19)6-16-12(20)8-3-2-4-9(14)5-8/h2-5H,6-7H2,1H3,(H,16,20)(H2,15,17,18,21).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate has a molecular weight of 311.27 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-[(3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 2548358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).