[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate

C14H18N2O4 — CID 2562979

IUPAC[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(C)c1
InChIInChI=1S/C14H18N2O4/c1-4-15-14(19)16-12(17)10(3)20-13(18)11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H2,15,16,17,19)/t10-/m1/s1
InChIKeyHYXVONAWLXLKKX-SNVBAGLBSA-N
MW278.31 g/mol
LogP1.39
Rot. Bonds4

About [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate

[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate (PubChem CID 2562979) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate.

Molecular Properties

Compound Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate
PubChem CID2562979
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(C)c1
InChIInChI=1S/C14H18N2O4/c1-4-15-14(19)16-12(17)10(3)20-13(18)11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H2,15,16,17,19)/t10-/m1/s1
InChIKeyHYXVONAWLXLKKX-SNVBAGLBSA-N
XLogP1.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 2503937
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(dimethylamino)benzoate
CID 3919697
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 42901482
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 60625551
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 2639961
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate
CID 4667647
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577637
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508447
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-hydroxybenzoate
CID 9413093
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]benzoate
CID 2579679
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 40619590
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-iodobenzoate
CID 9416986

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate?
The IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate (CID 2562979) is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate.
What is the SMILES notation for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate?
The canonical SMILES for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate is CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(C)c1.
What is the InChIKey of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate?
The InChIKey is HYXVONAWLXLKKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-4-15-14(19)16-12(17)10(3)20-13(18)11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3,(H2,15,16,17,19)/t10-/m1/s1.
What are the key properties of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate?
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate has a molecular weight of 278.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-methylbenzoate is sourced from PubChem (CID 2562979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).