[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate

C15H19NO4 — CID 9018334

IUPAC[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
SMILESC[C@@H](NC(=O)COC(=O)COc1ccccc1)C1CC1
InChIInChI=1S/C15H19NO4/c1-11(12-7-8-12)16-14(17)9-20-15(18)10-19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyAKUYUMFTUHRYIL-LLVKDONJSA-N
MW277.32 g/mol
LogP1.52
Rot. Bonds7

About [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate

[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate (PubChem CID 9018334) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
PubChem CID9018334
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
SMILESC[C@@H](NC(=O)COC(=O)COc1ccccc1)C1CC1
InChIInChI=1S/C15H19NO4/c1-11(12-7-8-12)16-14(17)9-20-15(18)10-19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyAKUYUMFTUHRYIL-LLVKDONJSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-(1-cyclopropylethylamino)-2-oxoethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55442410
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9336333
[2-(methylamino)-2-oxoethyl] 2-phenoxyacetate
CID 7980270
2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 9334701
methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 7697704
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018310
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342663
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197591

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate (CID 9018334) is [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate is C[C@@H](NC(=O)COC(=O)COc1ccccc1)C1CC1.
What is the InChIKey of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is AKUYUMFTUHRYIL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11(12-7-8-12)16-14(17)9-20-15(18)10-19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate?
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 277.32 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 9018334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).