2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid

C11H21NO3 — CID 59893631

IUPAC2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)C(C)C(=O)N(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)6-9(11(14)15)8(3)10(13)12(4)5/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyPVSAIPGKUAFJOJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid

2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid (PubChem CID 59893631) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid
PubChem CID59893631
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)C(C)C(=O)N(C)C
InChIInChI=1S/C11H21NO3/c1-7(2)6-9(11(14)15)8(3)10(13)12(4)5/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyPVSAIPGKUAFJOJ-UHFFFAOYSA-N
XLogP1.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid?
The IUPAC name of 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid (CID 59893631) is 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid?
The canonical SMILES for 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid is CC(C)CC(C(=O)O)C(C)C(=O)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid?
The InChIKey is PVSAIPGKUAFJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)6-9(11(14)15)8(3)10(13)12(4)5/h7-9H,6H2,1-5H3,(H,14,15).
What are the key properties of 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid?
2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanoic acid is sourced from PubChem (CID 59893631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).