ethyl 3-(3-methoxypropylamino)propanoate

C9H19NO3 — CID 15818804

IUPACethyl 3-(3-methoxypropylamino)propanoate
SMILESCCOC(=O)CCNCCCOC
InChIInChI=1S/C9H19NO3/c1-3-13-9(11)5-7-10-6-4-8-12-2/h10H,3-8H2,1-2H3
InChIKeyXTIULWPWCRKKBD-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.57
Rot. Bonds8

About ethyl 3-(3-methoxypropylamino)propanoate

ethyl 3-(3-methoxypropylamino)propanoate (PubChem CID 15818804) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethyl 3-(3-methoxypropylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-methoxypropylamino)propanoate
PubChem CID15818804
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethyl 3-(3-methoxypropylamino)propanoate
SMILESCCOC(=O)CCNCCCOC
InChIInChI=1S/C9H19NO3/c1-3-13-9(11)5-7-10-6-4-8-12-2/h10H,3-8H2,1-2H3
InChIKeyXTIULWPWCRKKBD-UHFFFAOYSA-N
XLogP0.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.57
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 ethyl 3-(3-methoxypropylamino)propanoate?
The IUPAC name of ethyl 3-(3-methoxypropylamino)propanoate (CID 15818804) is ethyl 3-(3-methoxypropylamino)propanoate.
What is the SMILES notation for ethyl 3-(3-methoxypropylamino)propanoate?
The canonical SMILES for ethyl 3-(3-methoxypropylamino)propanoate is CCOC(=O)CCNCCCOC.
What is the InChIKey of ethyl 3-(3-methoxypropylamino)propanoate?
The InChIKey is XTIULWPWCRKKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-13-9(11)5-7-10-6-4-8-12-2/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(3-methoxypropylamino)propanoate?
ethyl 3-(3-methoxypropylamino)propanoate has a molecular weight of 189.25 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxypropylamino)propanoate is sourced from PubChem (CID 15818804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).