3-(dimethylamino)-2-methyl-3-oxopropanoic acid

C6H11NO3 — CID 24972523

IUPAC3-(dimethylamino)-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N(C)C
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)5(8)7(2)3/h4H,1-3H3,(H,9,10)
InChIKeyRZEQJKBORFJJNX-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.20
Rot. Bonds2

About 3-(dimethylamino)-2-methyl-3-oxopropanoic acid

3-(dimethylamino)-2-methyl-3-oxopropanoic acid (PubChem CID 24972523) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-methyl-3-oxopropanoic acid
PubChem CID24972523
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-(dimethylamino)-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)N(C)C
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)5(8)7(2)3/h4H,1-3H3,(H,9,10)
InChIKeyRZEQJKBORFJJNX-UHFFFAOYSA-N
XLogP-0.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)-2-methyl-3-oxopropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Dimethylamino)-3-oxopropanoic acid
CID 13627061
3-(Dimethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 22569163
3-[Acetyl(methyl)amino]-3-oxopropanoic acid
CID 45088623
3-(Dimethylamino)-2-fluoro-3-oxopropanoic acid
CID 55303453
2-Methyl-3-[methyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 114897410
3-[2,2-Difluoroethyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 114899042
1-Methyl-2-oxoazetidine-3-carboxylic acid
CID 12211349
3-(Diethylamino)-3-oxopropanoic acid
CID 13551164
3-(Dimethylamino)-3-oxopropaneperoxoic acid
CID 18684763
2-[(Dimethylamino)methyl]propanedioic acid
CID 21622780
2-Methyl-3-(methylamino)-3-oxopropanoic acid
CID 21643486
3-[Bis(2-methylpropyl)amino]-3-oxopropanoic acid
CID 58234289

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-(dimethylamino)-2-methyl-3-oxopropanoic acid (CID 24972523) is 3-(dimethylamino)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-(dimethylamino)-2-methyl-3-oxopropanoic acid is CC(C(=O)O)C(=O)N(C)C.
What is the InChIKey of 3-(dimethylamino)-2-methyl-3-oxopropanoic acid?
The InChIKey is RZEQJKBORFJJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(6(9)10)5(8)7(2)3/h4H,1-3H3,(H,9,10).
What are the key properties of 3-(dimethylamino)-2-methyl-3-oxopropanoic acid?
3-(dimethylamino)-2-methyl-3-oxopropanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 24972523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).