[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate

C16H20N2O6 — CID 9197744

IUPAC[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)COc1ccccc1C=O
InChIInChI=1S/C16H20N2O6/c1-3-17-16(22)11(2)18-14(20)9-24-15(21)10-23-13-7-5-4-6-12(13)8-19/h4-8,11H,3,9-10H2,1-2H3,(H,17,22)(H,18,20)/t11-/m1/s1
InChIKeyPOIAVCBJMWFRLH-LLVKDONJSA-N
MW336.34 g/mol
LogP0.06
Rot. Bonds9

About [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate (PubChem CID 9197744) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
PubChem CID9197744
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESCCNC(=O)[C@@H](C)NC(=O)COC(=O)COc1ccccc1C=O
InChIInChI=1S/C16H20N2O6/c1-3-17-16(22)11(2)18-14(20)9-24-15(21)10-23-13-7-5-4-6-12(13)8-19/h4-8,11H,3,9-10H2,1-2H3,(H,17,22)(H,18,20)/t11-/m1/s1
InChIKeyPOIAVCBJMWFRLH-LLVKDONJSA-N
XLogP0.06
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197712
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-formylphenoxy)acetate
CID 8808989
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(4-chloronaphthalen-1-yl)oxyacetate
CID 8732816
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-formylphenoxy)acetate
CID 8608475
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
methyl (2S)-2-[[2-[2-(2-formylphenoxy)acetyl]oxyacetyl]amino]-3-phenylpropanoate
CID 9197807
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018937
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-formylphenoxy)acetate
CID 8609788
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609898
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8842013
methyl 2-(2-formylphenoxy)acetate
CID 5151625

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The IUPAC name of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate (CID 9197744) is [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate.
What is the SMILES notation for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The canonical SMILES for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate is CCNC(=O)[C@@H](C)NC(=O)COC(=O)COc1ccccc1C=O.
What is the InChIKey of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The InChIKey is POIAVCBJMWFRLH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-3-17-16(22)11(2)18-14(20)9-24-15(21)10-23-13-7-5-4-6-12(13)8-19/h4-8,11H,3,9-10H2,1-2H3,(H,17,22)(H,18,20)/t11-/m1/s1.
What are the key properties of [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate has a molecular weight of 336.34 g/mol, XLogP of 0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate is sourced from PubChem (CID 9197744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).