[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate

C13H14F2N2O5 — CID 7290980

IUPAC[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14F2N2O5/c1-7(10(18)17-13(20)16-2)21-11(19)8-3-5-9(6-4-8)22-12(14)15/h3-7,12H,1-2H3,(H2,16,17,18,20)/t7-/m1/s1
InChIKeyCXALAQXUQYQHQA-SSDOTTSWSA-N
MW316.26 g/mol
LogP1.29
Rot. Bonds5

About [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate (PubChem CID 7290980) has the molecular formula C13H14F2N2O5 and a molecular weight of 316.26 g/mol. Its IUPAC name is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
PubChem CID7290980
Molecular FormulaC13H14F2N2O5
Molecular Weight316.26 g/mol
Exact Mass316.09
IUPAC Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H14F2N2O5/c1-7(10(18)17-13(20)16-2)21-11(19)8-3-5-9(6-4-8)22-12(14)15/h3-7,12H,1-2H3,(H2,16,17,18,20)/t7-/m1/s1
InChIKeyCXALAQXUQYQHQA-SSDOTTSWSA-N
XLogP1.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751721
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781123
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 7860454
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 4876666
[(2R)-1-amino-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate
CID 2612532
(1-amino-1-oxopropan-2-yl) 4-(difluoromethoxy)benzoate
CID 18076582
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514628
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-nitrobenzoate
CID 7834848
2-(4-carbamothioylphenoxy)-N-(methylcarbamoyl)propanamide
CID 43116873
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 16527951
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985824
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 16523243

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate?
The IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate (CID 7290980) is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate.
What is the SMILES notation for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate?
The canonical SMILES for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate is CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate?
The InChIKey is CXALAQXUQYQHQA-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H14F2N2O5/c1-7(10(18)17-13(20)16-2)21-11(19)8-3-5-9(6-4-8)22-12(14)15/h3-7,12H,1-2H3,(H2,16,17,18,20)/t7-/m1/s1.
What are the key properties of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate?
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate has a molecular weight of 316.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(difluoromethoxy)benzoate is sourced from PubChem (CID 7290980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).