[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate

C15H20N2O5 — CID 8791134

IUPAC[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C15H20N2O5/c1-4-16-15(20)17-13(18)10(2)22-14(19)11(3)21-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H2,16,17,18,20)/t10-,11-/m1/s1
InChIKeyDJMVHGGPALJHHB-GHMZBOCLSA-N
MW308.33 g/mol
LogP1.23
Rot. Bonds6

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

[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate (PubChem CID 8791134) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate.

Molecular Properties

Compound Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
PubChem CID8791134
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C15H20N2O5/c1-4-16-15(20)17-13(18)10(2)22-14(19)11(3)21-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H2,16,17,18,20)/t10-,11-/m1/s1
InChIKeyDJMVHGGPALJHHB-GHMZBOCLSA-N
XLogP1.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (2R)-2-phenoxypropanoate
CID 7833786
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-phenoxypropanoate
CID 55417062
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831
N-ethyl-2-phenoxypropanamide
CID 4282518
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856985
2-[3-(aminomethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 43115860
N-(ethylcarbamoyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 60623989
N-(ethylcarbamoyl)-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 63364090
N-(ethylcarbamoyl)-2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082829
methyl 4-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoate
CID 2103321
N-(ethylcarbamoyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495454
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate
CID 7229925

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate?
The IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate (CID 8791134) is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate.
What is the SMILES notation for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate?
The canonical SMILES for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate is CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1.
What is the InChIKey of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate?
The InChIKey is DJMVHGGPALJHHB-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-4-16-15(20)17-13(18)10(2)22-14(19)11(3)21-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H2,16,17,18,20)/t10-,11-/m1/s1.
What are the key properties of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate?
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate has a molecular weight of 308.33 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-phenoxypropanoate is sourced from PubChem (CID 8791134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).