methyl 3-[2-(dimethylamino)ethylamino]propanoate

C8H18N2O2 — CID 43242710

IUPACmethyl 3-[2-(dimethylamino)ethylamino]propanoate
SMILESCOC(=O)CCNCCN(C)C
InChIInChI=1S/C8H18N2O2/c1-10(2)7-6-9-5-4-8(11)12-3/h9H,4-7H2,1-3H3
InChIKeyMKUJPGBRTFLSTP-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.30
Rot. Bonds6

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

methyl 3-[2-(dimethylamino)ethylamino]propanoate (PubChem CID 43242710) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)ethylamino]propanoate
PubChem CID43242710
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl 3-[2-(dimethylamino)ethylamino]propanoate
SMILESCOC(=O)CCNCCN(C)C
InChIInChI=1S/C8H18N2O2/c1-10(2)7-6-9-5-4-8(11)12-3/h9H,4-7H2,1-3H3
InChIKeyMKUJPGBRTFLSTP-UHFFFAOYSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethylamino]propanoate?
The IUPAC name of methyl 3-[2-(dimethylamino)ethylamino]propanoate (CID 43242710) is methyl 3-[2-(dimethylamino)ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-(dimethylamino)ethylamino]propanoate is COC(=O)CCNCCN(C)C.
What is the InChIKey of methyl 3-[2-(dimethylamino)ethylamino]propanoate?
The InChIKey is MKUJPGBRTFLSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-10(2)7-6-9-5-4-8(11)12-3/h9H,4-7H2,1-3H3.
What are the key properties of methyl 3-[2-(dimethylamino)ethylamino]propanoate?
methyl 3-[2-(dimethylamino)ethylamino]propanoate has a molecular weight of 174.24 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)ethylamino]propanoate is sourced from PubChem (CID 43242710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).