2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid

C12H25NO4 — CID 64720044

IUPAC2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
SMILESCCCOCCOC(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C12H25NO4/c1-5-6-16-7-8-17-10(2)9-12(3,13-4)11(14)15/h10,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyLUMPQKOPILKOEL-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.27
Rot. Bonds10

About 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid

2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid (PubChem CID 64720044) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
PubChem CID64720044
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
SMILESCCCOCCOC(C)CC(C)(NC)C(=O)O
InChIInChI=1S/C12H25NO4/c1-5-6-16-7-8-17-10(2)9-12(3,13-4)11(14)15/h10,13H,5-9H2,1-4H3,(H,14,15)
InChIKeyLUMPQKOPILKOEL-UHFFFAOYSA-N
XLogP1.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.27
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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Related Compounds

2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
2-methyl-2-(methylamino)-4-octoxypentanoic acid
CID 64709002
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 106204603
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 82007441
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
4-butoxy-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64706677
4-butoxy-2-(ethylamino)-2-methylpentanoic acid
CID 64706482
4-(2-methoxyethoxy)-2-methyl-2-(methylamino)pentanamide
CID 64707377
2-(ethylamino)-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoic acid
CID 112589153
2-methyl-2-(methylamino)-6-pentan-2-yloxyhexanoic acid
CID 102984383
methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706315
2-(cyclopropylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanoic acid
CID 106448855

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid (CID 64720044) is 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid is CCCOCCOC(C)CC(C)(NC)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid?
The InChIKey is LUMPQKOPILKOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-5-6-16-7-8-17-10(2)9-12(3,13-4)11(14)15/h10,13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid?
2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid has a molecular weight of 247.33 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid is sourced from PubChem (CID 64720044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).