methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate

C12H24N2O3 — CID 62011281

IUPACmethyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate
SMILESCCN(CC)C(=O)C(C)N(C)CCC(=O)OC
InChIInChI=1S/C12H24N2O3/c1-6-14(7-2)12(16)10(3)13(4)9-8-11(15)17-5/h10H,6-9H2,1-5H3
InChIKeyCEKFVGZAGGGNOH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.74
Rot. Bonds7

About methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate

methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate (PubChem CID 62011281) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate
PubChem CID62011281
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate
SMILESCCN(CC)C(=O)C(C)N(C)CCC(=O)OC
InChIInChI=1S/C12H24N2O3/c1-6-14(7-2)12(16)10(3)13(4)9-8-11(15)17-5/h10H,6-9H2,1-5H3
InChIKeyCEKFVGZAGGGNOH-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate 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

methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
N,N-diethyl-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 62020446
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate
CID 55208158
2-[3-aminopropyl(methyl)amino]-N,N-diethylpropanamide
CID 43116469
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011369
N,N-diethyl-2-[2-hydroxypropyl(methyl)amino]propanamide
CID 62333186
methyl 3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]propanoate
CID 63948089
methyl 3-[carbonochloridoyl(ethyl)amino]propanoate
CID 20566212
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
methyl 3-[[2-(carbamoylamino)-3-methylbutanoyl]-ethylamino]propanoate
CID 54898842
methyl 3-[1-cyanobutan-2-yl(methyl)amino]propanoate
CID 62013597

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate (CID 62011281) is methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate is CCN(CC)C(=O)C(C)N(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate?
The InChIKey is CEKFVGZAGGGNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-14(7-2)12(16)10(3)13(4)9-8-11(15)17-5/h10H,6-9H2,1-5H3.
What are the key properties of methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate?
methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate has a molecular weight of 244.33 g/mol, XLogP of 0.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate is sourced from PubChem (CID 62011281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).