[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate

C9H17NO5 — CID 87160018

IUPAC[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
SMILESCOCCNC(=O)C(C)OC(=O)COC
InChIInChI=1S/C9H17NO5/c1-7(15-8(11)6-14-3)9(12)10-4-5-13-2/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyRHHMSZXOSYEOTR-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.67
Rot. Bonds7

About [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate

[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate (PubChem CID 87160018) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
PubChem CID87160018
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
SMILESCOCCNC(=O)C(C)OC(=O)COC
InChIInChI=1S/C9H17NO5/c1-7(15-8(11)6-14-3)9(12)10-4-5-13-2/h7H,4-6H2,1-3H3,(H,10,12)
InChIKeyRHHMSZXOSYEOTR-UHFFFAOYSA-N
XLogP-0.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-hydroxy-1-[hydroxy(methyl)phosphoryl]-3-[2-(2-methoxyacetyl)oxypropanoylamino]propyl]phosphonic acid
CID 118886808
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
(2S)-2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876418
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-(4-bromo-2-chloro-6-methylphenoxy)acetate
CID 8942559
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956013
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3,5-diaminobenzoate
CID 61322933
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 8879255
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
CID 126705697

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate?
The IUPAC name of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate (CID 87160018) is [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate.
What is the SMILES notation for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate?
The canonical SMILES for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate is COCCNC(=O)C(C)OC(=O)COC.
What is the InChIKey of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate?
The InChIKey is RHHMSZXOSYEOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-7(15-8(11)6-14-3)9(12)10-4-5-13-2/h7H,4-6H2,1-3H3,(H,10,12).
What are the key properties of [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate?
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate has a molecular weight of 219.24 g/mol, XLogP of -0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate is sourced from PubChem (CID 87160018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).