[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate

C11H10F2N2O4 — CID 7907593

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
SMILESC[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)NC(N)=O
InChIInChI=1S/C11H10F2N2O4/c1-5(9(16)15-11(14)18)19-10(17)6-2-7(12)4-8(13)3-6/h2-5H,1H3,(H3,14,15,16,18)/t5-/m1/s1
InChIKeyMBQPCETZCATYDX-RXMQYKEDSA-N
MW272.21 g/mol
LogP0.70
Rot. Bonds3

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate (PubChem CID 7907593) has the molecular formula C11H10F2N2O4 and a molecular weight of 272.21 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
PubChem CID7907593
Molecular FormulaC11H10F2N2O4
Molecular Weight272.21 g/mol
Exact Mass272.06
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
SMILESC[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)NC(N)=O
InChIInChI=1S/C11H10F2N2O4/c1-5(9(16)15-11(14)18)19-10(17)6-2-7(12)4-8(13)3-6/h2-5H,1H3,(H3,14,15,16,18)/t5-/m1/s1
InChIKeyMBQPCETZCATYDX-RXMQYKEDSA-N
XLogP0.70
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(carbamoylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 16540114
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 8728350
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 2638001
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4,5-triethoxybenzoate
CID 2637745
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate
CID 8987330
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 7864757
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 16529443
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 8728481
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-phenylbenzoate
CID 2520636

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate (CID 7907593) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate is C[C@@H](OC(=O)c1cc(F)cc(F)c1)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate?
The InChIKey is MBQPCETZCATYDX-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H10F2N2O4/c1-5(9(16)15-11(14)18)19-10(17)6-2-7(12)4-8(13)3-6/h2-5H,1H3,(H3,14,15,16,18)/t5-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate has a molecular weight of 272.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate is sourced from PubChem (CID 7907593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).