[1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate

C11H20N2O5 — CID 59722273

IUPAC[1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate
SMILESCOC(C)C(=O)NCCNC(=O)C(C)OC(C)=O
InChIInChI=1S/C11H20N2O5/c1-7(17-4)10(15)12-5-6-13-11(16)8(2)18-9(3)14/h7-8H,5-6H2,1-4H3,(H,12,15)(H,13,16)
InChIKeyJJYNLADBYJVZPQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.79
Rot. Bonds7

About [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate

[1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate (PubChem CID 59722273) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate
PubChem CID59722273
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name[1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate
SMILESCOC(C)C(=O)NCCNC(=O)C(C)OC(C)=O
InChIInChI=1S/C11H20N2O5/c1-7(17-4)10(15)12-5-6-13-11(16)8(2)18-9(3)14/h7-8H,5-6H2,1-4H3,(H,12,15)(H,13,16)
InChIKeyJJYNLADBYJVZPQ-UHFFFAOYSA-N
XLogP-0.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
5-(2-methoxypropanoylamino)pentanoic acid
CID 115731347
N-(3-hydroxypentyl)-2-methoxypropanamide
CID 115703372
N-(4-aminopentyl)-2-methoxypropanamide
CID 106122458
[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] acetate
CID 137320952
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide
CID 115701678
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 87160018
2-methoxy-N-(3-sulfamoylpropyl)propanamide
CID 115589849
2-[2-(2-methoxypropanoylamino)ethylsulfanyl]acetic acid
CID 115731510
N-(2-cyclopentylethyl)-2-methoxypropanamide
CID 115588216

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate?
The IUPAC name of [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate (CID 59722273) is [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate?
The canonical SMILES for [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate is COC(C)C(=O)NCCNC(=O)C(C)OC(C)=O.
What is the InChIKey of [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate?
The InChIKey is JJYNLADBYJVZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(17-4)10(15)12-5-6-13-11(16)8(2)18-9(3)14/h7-8H,5-6H2,1-4H3,(H,12,15)(H,13,16).
What are the key properties of [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate?
[1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate has a molecular weight of 260.29 g/mol, XLogP of -0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methoxypropanoylamino)ethylamino]-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 59722273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).