2-(dimethylamino)-3-methyl-5-oxopentanoic acid

C8H15NO3 — CID 175114199

IUPAC2-(dimethylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC=O)C(C(=O)O)N(C)C
InChIInChI=1S/C8H15NO3/c1-6(4-5-10)7(8(11)12)9(2)3/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyLRCJKWALSNQVBV-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.23
Rot. Bonds5

About 2-(dimethylamino)-3-methyl-5-oxopentanoic acid

2-(dimethylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 175114199) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-3-methyl-5-oxopentanoic acid
PubChem CID175114199
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(dimethylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC=O)C(C(=O)O)N(C)C
InChIInChI=1S/C8H15NO3/c1-6(4-5-10)7(8(11)12)9(2)3/h5-7H,4H2,1-3H3,(H,11,12)
InChIKeyLRCJKWALSNQVBV-UHFFFAOYSA-N
XLogP0.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 2-(dimethylamino)-3-methyl-5-oxopentanoic acid (CID 175114199) is 2-(dimethylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 2-(dimethylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 2-(dimethylamino)-3-methyl-5-oxopentanoic acid is CC(CC=O)C(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is LRCJKWALSNQVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(4-5-10)7(8(11)12)9(2)3/h5-7H,4H2,1-3H3,(H,11,12).
What are the key properties of 2-(dimethylamino)-3-methyl-5-oxopentanoic acid?
2-(dimethylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 175114199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).