3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid

C11H22N2O5 — CID 54990116

IUPAC3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid
SMILESCOCCCN(CCOC)C(=O)NCCC(=O)O
InChIInChI=1S/C11H22N2O5/c1-17-8-3-6-13(7-9-18-2)11(16)12-5-4-10(14)15/h3-9H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyOEZIMNZRULSKCJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.16
Rot. Bonds10

About 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid

3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid (PubChem CID 54990116) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid
PubChem CID54990116
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid
SMILESCOCCCN(CCOC)C(=O)NCCC(=O)O
InChIInChI=1S/C11H22N2O5/c1-17-8-3-6-13(7-9-18-2)11(16)12-5-4-10(14)15/h3-9H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyOEZIMNZRULSKCJ-UHFFFAOYSA-N
XLogP0.16
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid (CID 54990116) is 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid is COCCCN(CCOC)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid?
The InChIKey is OEZIMNZRULSKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-17-8-3-6-13(7-9-18-2)11(16)12-5-4-10(14)15/h3-9H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid?
3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 0.16, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 54990116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).