[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate

C14H18N2O4 — CID 7851438

IUPAC[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CC)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-3-11(17)20-12(10-8-6-5-7-9-10)13(18)16-14(19)15-4-2/h5-9,12H,3-4H2,1-2H3,(H2,15,16,18,19)/t12-/m1/s1
InChIKeyDYRIISMCESSEDW-GFCCVEGCSA-N
MW278.31 g/mol
LogP1.53
Rot. Bonds5

About [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate (PubChem CID 7851438) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate.

Molecular Properties

Compound Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
PubChem CID7851438
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CC)c1ccccc1
InChIInChI=1S/C14H18N2O4/c1-3-11(17)20-12(10-8-6-5-7-9-10)13(18)16-14(19)15-4-2/h5-9,12H,3-4H2,1-2H3,(H2,15,16,18,19)/t12-/m1/s1
InChIKeyDYRIISMCESSEDW-GFCCVEGCSA-N
XLogP1.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 7875023
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)acetate
CID 55358992
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274048
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-hydroxyphenyl)acetate
CID 8672082
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,6-dichlorophenyl)acetate
CID 7767333
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylacetate
CID 7799353
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750970
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270601
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-fluorobenzoate
CID 7864310
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (2R)-2-phenoxypropanoate
CID 7833786
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-aminobenzoate
CID 7781331

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate?
The IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate (CID 7851438) is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate.
What is the SMILES notation for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate?
The canonical SMILES for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate is CCNC(=O)NC(=O)[C@H](OC(=O)CC)c1ccccc1.
What is the InChIKey of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate?
The InChIKey is DYRIISMCESSEDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-11(17)20-12(10-8-6-5-7-9-10)13(18)16-14(19)15-4-2/h5-9,12H,3-4H2,1-2H3,(H2,15,16,18,19)/t12-/m1/s1.
What are the key properties of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate?
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate has a molecular weight of 278.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate is sourced from PubChem (CID 7851438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).