[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate

C19H20N2O5 — CID 7718152

IUPAC[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H20N2O5/c1-13(17(22)21-19(24)20-2)26-18(23)15-10-6-7-11-16(15)25-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)/t13-/m1/s1
InChIKeyAEYQQHKGEWLDOU-CYBMUJFWSA-N
MW356.38 g/mol
LogP2.27
Rot. Bonds6

About [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate (PubChem CID 7718152) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate.

Molecular Properties

Compound Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
PubChem CID7718152
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H20N2O5/c1-13(17(22)21-19(24)20-2)26-18(23)15-10-6-7-11-16(15)25-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)/t13-/m1/s1
InChIKeyAEYQQHKGEWLDOU-CYBMUJFWSA-N
XLogP2.27
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxybenzoate
CID 7760772
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 16522887
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 7299042
1-O-methyl 2-O-[1-(methylcarbamoylamino)-1-oxopropan-2-yl] benzene-1,2-dicarboxylate
CID 56504468
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 2605686
butan-2-yl 2-phenylmethoxybenzoate
CID 82186245
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718120
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
CID 8526457
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 16532605
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 16522885
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 7738779
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 16528074

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
The IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate (CID 7718152) is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate.
What is the SMILES notation for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
The canonical SMILES for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate is CNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
The InChIKey is AEYQQHKGEWLDOU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13(17(22)21-19(24)20-2)26-18(23)15-10-6-7-11-16(15)25-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)/t13-/m1/s1.
What are the key properties of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate?
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate has a molecular weight of 356.38 g/mol, XLogP of 2.27, 6 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] 2-phenylmethoxybenzoate is sourced from PubChem (CID 7718152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).