[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate

C9H17NO3 — CID 134364570

IUPAC[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCCC(=O)N(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)9(12)13-6-5-8(11)10(3)4/h7H,5-6H2,1-4H3
InChIKeyAYENXVWYLXXYRT-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.66
Rot. Bonds4

About [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate

[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate (PubChem CID 134364570) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate.

Molecular Properties

Compound Name[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
PubChem CID134364570
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate
SMILESCC(C)C(=O)OCCC(=O)N(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)9(12)13-6-5-8(11)10(3)4/h7H,5-6H2,1-4H3
InChIKeyAYENXVWYLXXYRT-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxy-3-oxopropyl) 2-methylpropanoate
CID 59093040
3-methoxy-N,N-dimethylpropanamide
CID 159478663
3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
CID 71364213
3-oxopentyl 2-methylpropanoate
CID 58600127
2-[formyl(methyl)amino]ethyl 2-methylpropanoate
CID 89217664
ethyl 5-(2-methylpropanoyloxy)pentanoate
CID 156656720
3-(2-amino-2-methylpropoxy)-N,N-dimethylpropanamide
CID 64537384
methane;N,N,4-trimethylpentanamide
CID 160907901
3-aminopropyl 2-methylpropanoate
CID 59078098
2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068
tris[2-(2-methylpropanoyloxy)ethyl]azanium
CID 154048574
3-[2-(2-aminopropyl)-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63325860

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate?
The IUPAC name of [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate (CID 134364570) is [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate.
What is the SMILES notation for [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate?
The canonical SMILES for [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate is CC(C)C(=O)OCCC(=O)N(C)C.
What is the InChIKey of [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate?
The InChIKey is AYENXVWYLXXYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)9(12)13-6-5-8(11)10(3)4/h7H,5-6H2,1-4H3.
What are the key properties of [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate?
[3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-oxopropyl] 2-methylpropanoate is sourced from PubChem (CID 134364570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).