2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid

C10H20N2O4 — CID 61187357

IUPAC2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCCOC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-5-10(2,8(13)14)12-9(15)11-6-7-16-3/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyZKZTZXCUNWLRJG-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.58
Rot. Bonds7

About 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid

2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid (PubChem CID 61187357) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
PubChem CID61187357
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NCCOC)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-4-5-10(2,8(13)14)12-9(15)11-6-7-16-3/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15)
InChIKeyZKZTZXCUNWLRJG-UHFFFAOYSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
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 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid (CID 61187357) is 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid is CCCC(C)(NC(=O)NCCOC)C(=O)O.
What is the InChIKey of 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid?
The InChIKey is ZKZTZXCUNWLRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-5-10(2,8(13)14)12-9(15)11-6-7-16-3/h4-7H2,1-3H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid?
2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylcarbamoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 61187357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).