[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate

C16H22N2O6 — CID 7147645

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate
SMILESCCOc1ccccc1OCCCC(=O)O[C@H](C)C(=O)NC(N)=O
InChIInChI=1S/C16H22N2O6/c1-3-22-12-7-4-5-8-13(12)23-10-6-9-14(19)24-11(2)15(20)18-16(17)21/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H3,17,18,20,21)/t11-/m1/s1
InChIKeyKWZTYWUEWFRGHV-LLVKDONJSA-N
MW338.36 g/mol
LogP1.37
Rot. Bonds9

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate (PubChem CID 7147645) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate
PubChem CID7147645
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate
SMILESCCOc1ccccc1OCCCC(=O)O[C@H](C)C(=O)NC(N)=O
InChIInChI=1S/C16H22N2O6/c1-3-22-12-7-4-5-8-13(12)23-10-6-9-14(19)24-11(2)15(20)18-16(17)21/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H3,17,18,20,21)/t11-/m1/s1
InChIKeyKWZTYWUEWFRGHV-LLVKDONJSA-N
XLogP1.37
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(3-bromophenoxy)butanoate
CID 4264667
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate
CID 2667441
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 29353828
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenoxy)propanoate
CID 7856644
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-phenoxyethoxy)benzoate
CID 2595758
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791151
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4,5-triethoxybenzoate
CID 2637745
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806
(2R)-N-carbamoyl-2-(2-propan-2-ylphenoxy)propanamide
CID 95358323
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 42970974
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate
CID 2535397
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 9140008

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate (CID 7147645) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate is CCOc1ccccc1OCCCC(=O)O[C@H](C)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate?
The InChIKey is KWZTYWUEWFRGHV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-3-22-12-7-4-5-8-13(12)23-10-6-9-14(19)24-11(2)15(20)18-16(17)21/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H3,17,18,20,21)/t11-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate has a molecular weight of 338.36 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-(2-ethoxyphenoxy)butanoate is sourced from PubChem (CID 7147645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).