methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate

C7H13NO3 — CID 102285432

IUPACmethyl 3-(dimethylamino)-2-methyl-3-oxopropanoate
SMILESCOC(=O)C(C)C(=O)N(C)C
InChIInChI=1S/C7H13NO3/c1-5(7(10)11-4)6(9)8(2)3/h5H,1-4H3
InChIKeyPJGGFGKKPNWNGC-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.12
Rot. Bonds2

About methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate

methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate (PubChem CID 102285432) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-2-methyl-3-oxopropanoate
PubChem CID102285432
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 3-(dimethylamino)-2-methyl-3-oxopropanoate
SMILESCOC(=O)C(C)C(=O)N(C)C
InChIInChI=1S/C7H13NO3/c1-5(7(10)11-4)6(9)8(2)3/h5H,1-4H3
InChIKeyPJGGFGKKPNWNGC-UHFFFAOYSA-N
XLogP-0.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate?
The IUPAC name of methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate (CID 102285432) is methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate.
What is the SMILES notation for methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate?
The canonical SMILES for methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate is COC(=O)C(C)C(=O)N(C)C.
What is the InChIKey of methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate?
The InChIKey is PJGGFGKKPNWNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(7(10)11-4)6(9)8(2)3/h5H,1-4H3.
What are the key properties of methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate?
methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate has a molecular weight of 159.18 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-2-methyl-3-oxopropanoate is sourced from PubChem (CID 102285432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).