4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid

C13H26N2O4 — CID 63690077

IUPAC4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCOCCN(CC)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-5-15(9-10-19-6-2)12(18)14-13(3,4)8-7-11(16)17/h5-10H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyNZGQLKQENNKSOQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.70
Rot. Bonds9

About 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid

4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 63690077) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID63690077
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCCOCCN(CC)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-5-15(9-10-19-6-2)12(18)14-13(3,4)8-7-11(16)17/h5-10H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyNZGQLKQENNKSOQ-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid (CID 63690077) is 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid is CCOCCN(CC)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is NZGQLKQENNKSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-5-15(9-10-19-6-2)12(18)14-13(3,4)8-7-11(16)17/h5-10H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid?
4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 63690077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).