methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate

C11H22N2O3 — CID 55208158

IUPACmethyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(C)C(=O)N(C)C
InChIInChI=1S/C11H22N2O3/c1-6-13(8-7-10(14)16-5)9(2)11(15)12(3)4/h9H,6-8H2,1-5H3
InChIKeyNDXLUNQXKFAREP-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.35
Rot. Bonds6

About methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate

methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate (PubChem CID 55208158) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate
PubChem CID55208158
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)C(C)C(=O)N(C)C
InChIInChI=1S/C11H22N2O3/c1-6-13(8-7-10(14)16-5)9(2)11(15)12(3)4/h9H,6-8H2,1-5H3
InChIKeyNDXLUNQXKFAREP-UHFFFAOYSA-N
XLogP0.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(dibutylamino)-N,N-dimethylpropanamide
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methyl 3-[methyl(pentan-2-yl)amino]propanoate
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methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate
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3-[ethyl(3-oxobutan-2-yl)amino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate?
The IUPAC name of methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate (CID 55208158) is methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate?
The canonical SMILES for methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate is CCN(CCC(=O)OC)C(C)C(=O)N(C)C.
What is the InChIKey of methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate?
The InChIKey is NDXLUNQXKFAREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-13(8-7-10(14)16-5)9(2)11(15)12(3)4/h9H,6-8H2,1-5H3.
What are the key properties of methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate?
methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate has a molecular weight of 230.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate is sourced from PubChem (CID 55208158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).