5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid

C11H20N2O6 — CID 82786530

IUPAC5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
SMILESCOCCNCC(=O)NC(CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-18-6-5-12-7-9(14)13-8(11(16)17)3-4-10(15)19-2/h8,12H,3-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyTXRBXYNVGUCNAX-UHFFFAOYSA-N
MW276.29 g/mol
LogP-1.25
Rot. Bonds10

About 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid

5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid (PubChem CID 82786530) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
PubChem CID82786530
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid
SMILESCOCCNCC(=O)NC(CCC(=O)OC)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-18-6-5-12-7-9(14)13-8(11(16)17)3-4-10(15)19-2/h8,12H,3-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyTXRBXYNVGUCNAX-UHFFFAOYSA-N
XLogP-1.25
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(ethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005133
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2S)-2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824278
5-methoxy-5-oxo-2-[[2-(prop-2-ynylamino)acetyl]amino]pentanoic acid
CID 82787521
(2R)-2-[3-(ethylamino)propanoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005141
(2S)-2-[[2-(2-methoxyethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 79280917
(2R)-5-methoxy-2-(4-methoxybutylcarbamoylamino)-5-oxopentanoic acid
CID 107827213
4-methoxy-2-[[2-(prop-2-ynylamino)acetyl]amino]butanoic acid
CID 79270679
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643
2-(3-methoxypropanoylamino)pentanedioic acid
CID 62590397
2-[(3,5-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107702824
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid (CID 82786530) is 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid is COCCNCC(=O)NC(CCC(=O)OC)C(=O)O.
What is the InChIKey of 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is TXRBXYNVGUCNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-18-6-5-12-7-9(14)13-8(11(16)17)3-4-10(15)19-2/h8,12H,3-7H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid?
5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 276.29 g/mol, XLogP of -1.25, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[2-(2-methoxyethylamino)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 82786530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).