3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid

C7H13NO3 — CID 22569163

IUPAC3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid
SMILESCN(C)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-7(2,6(10)11)5(9)8(3)4/h1-4H3,(H,10,11)
InChIKeyBWONBEUMAJFHTO-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.19
Rot. Bonds2

About 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid

3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 22569163) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid
PubChem CID22569163
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid
SMILESCN(C)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-7(2,6(10)11)5(9)8(3)4/h1-4H3,(H,10,11)
InChIKeyBWONBEUMAJFHTO-UHFFFAOYSA-N
XLogP0.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid (CID 22569163) is 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid is CN(C)C(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is BWONBEUMAJFHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,6(10)11)5(9)8(3)4/h1-4H3,(H,10,11).
What are the key properties of 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid?
3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 22569163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).