2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid

C11H22N2O4 — CID 61182410

IUPAC2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)COC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-6-11(3,9(14)15)13-10(16)12-8(2)7-17-4/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyVZBJAWQTNZUFRS-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.96
Rot. Bonds7

About 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid

2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid (PubChem CID 61182410) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid
PubChem CID61182410
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)NC(C)COC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-6-11(3,9(14)15)13-10(16)12-8(2)7-17-4/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyVZBJAWQTNZUFRS-UHFFFAOYSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid (CID 61182410) is 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid is CCCC(C)(NC(=O)NC(C)COC)C(=O)O.
What is the InChIKey of 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid?
The InChIKey is VZBJAWQTNZUFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-6-11(3,9(14)15)13-10(16)12-8(2)7-17-4/h8H,5-7H2,1-4H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid?
2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-ylcarbamoylamino)-2-methylpentanoic acid is sourced from PubChem (CID 61182410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).