4-methyl-2-(methylamino)pentanoic acid

C7H15NO2 — CID 567743

IUPAC4-methyl-2-(methylamino)pentanoic acid
SMILESCNC(CC(C)C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyXJODGRWDFZVTKW-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.71
Rot. Bonds4

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

4-methyl-2-(methylamino)pentanoic acid (PubChem CID 567743) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(methylamino)pentanoic acid
PubChem CID567743
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-methyl-2-(methylamino)pentanoic acid
SMILESCNC(CC(C)C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKeyXJODGRWDFZVTKW-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(methylamino)pentanoic acid (CID 567743) is 4-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(methylamino)pentanoic acid is CNC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-(methylamino)pentanoic acid?
The InChIKey is XJODGRWDFZVTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)4-6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10).
What are the key properties of 4-methyl-2-(methylamino)pentanoic acid?
4-methyl-2-(methylamino)pentanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 567743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).