[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate

C12H13FN2O4 — CID 9270269

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccccc1F)C(N)=O
InChIInChI=1S/C12H13FN2O4/c1-7(11(14)17)19-10(16)6-15-12(18)8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)/t7-/m1/s1
InChIKeyWZVJNIBYJXFTLQ-SSDOTTSWSA-N
MW268.24 g/mol
LogP-0.03
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate

[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 9270269) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID9270269
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccccc1F)C(N)=O
InChIInChI=1S/C12H13FN2O4/c1-7(11(14)17)19-10(16)6-15-12(18)8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)/t7-/m1/s1
InChIKeyWZVJNIBYJXFTLQ-SSDOTTSWSA-N
XLogP-0.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269841
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 8521447
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269844
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602068
[(2R)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270232
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877831
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 7567588
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269969
hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422555

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate (CID 9270269) is [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate is C[C@@H](OC(=O)CNC(=O)c1ccccc1F)C(N)=O.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is WZVJNIBYJXFTLQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-7(11(14)17)19-10(16)6-15-12(18)8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)/t7-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate?
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 268.24 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 9270269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).