3-aminopropyl 2-(dimethylamino)acetate

C7H16N2O2 — CID 45082355

IUPAC3-aminopropyl 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)OCCCN
InChIInChI=1S/C7H16N2O2/c1-9(2)6-7(10)11-5-3-4-8/h3-6,8H2,1-2H3
InChIKeyHAQRZMLOKXAOPQ-UHFFFAOYSA-N
MW160.22 g/mol
LogP-0.56
Rot. Bonds5

About 3-aminopropyl 2-(dimethylamino)acetate

3-aminopropyl 2-(dimethylamino)acetate (PubChem CID 45082355) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-aminopropyl 2-(dimethylamino)acetate.

Molecular Properties

Compound Name3-aminopropyl 2-(dimethylamino)acetate
PubChem CID45082355
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-aminopropyl 2-(dimethylamino)acetate
SMILESCN(C)CC(=O)OCCCN
InChIInChI=1S/C7H16N2O2/c1-9(2)6-7(10)11-5-3-4-8/h3-6,8H2,1-2H3
InChIKeyHAQRZMLOKXAOPQ-UHFFFAOYSA-N
XLogP-0.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.56
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 3-aminopropyl 2-(dimethylamino)acetate?
The IUPAC name of 3-aminopropyl 2-(dimethylamino)acetate (CID 45082355) is 3-aminopropyl 2-(dimethylamino)acetate.
What is the SMILES notation for 3-aminopropyl 2-(dimethylamino)acetate?
The canonical SMILES for 3-aminopropyl 2-(dimethylamino)acetate is CN(C)CC(=O)OCCCN.
What is the InChIKey of 3-aminopropyl 2-(dimethylamino)acetate?
The InChIKey is HAQRZMLOKXAOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-9(2)6-7(10)11-5-3-4-8/h3-6,8H2,1-2H3.
What are the key properties of 3-aminopropyl 2-(dimethylamino)acetate?
3-aminopropyl 2-(dimethylamino)acetate has a molecular weight of 160.22 g/mol, XLogP of -0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl 2-(dimethylamino)acetate is sourced from PubChem (CID 45082355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).