[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate

C15H19NO4 — CID 24686871

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
SMILESCC(OC(=O)CCOc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C15H19NO4/c1-11(15(18)16-12-7-8-12)20-14(17)9-10-19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18)
InChIKeyIITUIZIFANXYRQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.67
Rot. Bonds7

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate (PubChem CID 24686871) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
PubChem CID24686871
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
SMILESCC(OC(=O)CCOc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C15H19NO4/c1-11(15(18)16-12-7-8-12)20-14(17)9-10-19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18)
InChIKeyIITUIZIFANXYRQ-UHFFFAOYSA-N
XLogP1.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-phenoxyacetamide
CID 832666
ethyl N-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)glycinate
CID 3756954
3-Methyl-2-(2-phenoxyacetamido)butanoic acid
CID 2942249
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
CID 749024
Acylglycineboronic acid, 8
CID 52939987
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
N-(Phenoxyacetyl)methionine
CID 3688853
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4216860
[2-(Cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139575
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenoxypropanoate
CID 16305117
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 16342978

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate (CID 24686871) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate is CC(OC(=O)CCOc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
The InChIKey is IITUIZIFANXYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11(15(18)16-12-7-8-12)20-14(17)9-10-19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,18).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate has a molecular weight of 277.32 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate is sourced from PubChem (CID 24686871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).