[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate

C19H20N2O5 — CID 7299042

IUPAC[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20N2O5/c1-13(17(22)21-19(24)20-2)26-18(23)15-9-6-10-16(11-15)25-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)/t13-/m0/s1
InChIKeyKZINJMKBJMOTOG-ZDUSSCGKSA-N
MW356.38 g/mol
LogP2.27
Rot. Bonds6

About [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate (PubChem CID 7299042) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate.

Molecular Properties

Compound Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
PubChem CID7299042
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H20N2O5/c1-13(17(22)21-19(24)20-2)26-18(23)15-9-6-10-16(11-15)25-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)/t13-/m0/s1
InChIKeyKZINJMKBJMOTOG-ZDUSSCGKSA-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

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 16522210
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 7240030
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718152
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-methoxybenzoate
CID 46668075
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(2-methylpropoxy)benzoate
CID 55423738
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] 3-chlorobenzoate
CID 7860029
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
(1-ethoxy-1,3-dioxobutan-2-yl) 3-phenylmethoxybenzoate
CID 139830136
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(2-methylpropoxy)benzoate
CID 9061188
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(propan-2-yloxymethyl)benzoate
CID 8985824
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751721
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 46810938

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate?
The IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate (CID 7299042) is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate.
What is the SMILES notation for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate?
The canonical SMILES for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate is CNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate?
The InChIKey is KZINJMKBJMOTOG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13(17(22)21-19(24)20-2)26-18(23)15-9-6-10-16(11-15)25-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)/t13-/m0/s1.
What are the key properties of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate?
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-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 [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate is sourced from PubChem (CID 7299042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).