3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid

C10H19N3O6 — CID 113405687

IUPAC3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
SMILESCOCCNC(=O)CNC(=O)NC(COC)C(=O)O
InChIInChI=1S/C10H19N3O6/c1-18-4-3-11-8(14)5-12-10(17)13-7(6-19-2)9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyZJOIJAHBVKRCCD-UHFFFAOYSA-N
MW277.28 g/mol
LogP-1.85
Rot. Bonds9

About 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid

3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid (PubChem CID 113405687) has the molecular formula C10H19N3O6 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
PubChem CID113405687
Molecular FormulaC10H19N3O6
Molecular Weight277.28 g/mol
Exact Mass277.13
IUPAC Name3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
SMILESCOCCNC(=O)CNC(=O)NC(COC)C(=O)O
InChIInChI=1S/C10H19N3O6/c1-18-4-3-11-8(14)5-12-10(17)13-7(6-19-2)9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyZJOIJAHBVKRCCD-UHFFFAOYSA-N
XLogP-1.85
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-hydroxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405676
3-methoxy-2-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 113405671
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
3-methoxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 81084969
(2S)-3-methoxy-2-[[2-[[2-(propanoylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 89002715
3-methoxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 81084281
3-methoxy-2-(pentylcarbamoylamino)propanoic acid
CID 81086094
2-(3-aminopropylcarbamoylamino)-3-methoxypropanoic acid
CID 81085801
2-acetamido-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-sulfanylpropanamide
CID 107769824
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-4-methoxybutanoic acid
CID 115356685
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid (CID 113405687) is 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid is COCCNC(=O)CNC(=O)NC(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
The InChIKey is ZJOIJAHBVKRCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O6/c1-18-4-3-11-8(14)5-12-10(17)13-7(6-19-2)9(15)16/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid?
3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of -1.85, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 113405687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).