3-methoxypropyl 3-(ethylamino)propanoate

C9H19NO3 — CID 62327444

IUPAC3-methoxypropyl 3-(ethylamino)propanoate
SMILESCCNCCC(=O)OCCCOC
InChIInChI=1S/C9H19NO3/c1-3-10-6-5-9(11)13-8-4-7-12-2/h10H,3-8H2,1-2H3
InChIKeyHHJUDUMDGPNYRX-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.57
Rot. Bonds8

About 3-methoxypropyl 3-(ethylamino)propanoate

3-methoxypropyl 3-(ethylamino)propanoate (PubChem CID 62327444) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-methoxypropyl 3-(ethylamino)propanoate.

Molecular Properties

Compound Name3-methoxypropyl 3-(ethylamino)propanoate
PubChem CID62327444
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-methoxypropyl 3-(ethylamino)propanoate
SMILESCCNCCC(=O)OCCCOC
InChIInChI=1S/C9H19NO3/c1-3-10-6-5-9(11)13-8-4-7-12-2/h10H,3-8H2,1-2H3
InChIKeyHHJUDUMDGPNYRX-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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Related Compounds

heptyl 3-(ethylamino)propanoate
CID 62328311
2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate
CID 112588033
3-(ethylamino)propyl octadecanoate
CID 157471077
3-methoxypropyl 2-(propan-2-ylamino)acetate
CID 61277386
propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate
CID 58040601
2-(ethylamino)ethyl tetradecanoate
CID 22321443
butyl 8-methoxyoctanoate
CID 155647547
heptyl 6-methoxyhexanoate
CID 134561585
2-methoxyethyl 5-methoxypentanoate
CID 58454735
3-methoxypropyl 3-oxopropanoate
CID 144975882
2-(ethylamino)ethyl 4-oxobutanoate
CID 138517503
butyl 3-(2,2-dihydroxyethylamino)propanoate
CID 175171291

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 3-(ethylamino)propanoate?
The IUPAC name of 3-methoxypropyl 3-(ethylamino)propanoate (CID 62327444) is 3-methoxypropyl 3-(ethylamino)propanoate.
What is the SMILES notation for 3-methoxypropyl 3-(ethylamino)propanoate?
The canonical SMILES for 3-methoxypropyl 3-(ethylamino)propanoate is CCNCCC(=O)OCCCOC.
What is the InChIKey of 3-methoxypropyl 3-(ethylamino)propanoate?
The InChIKey is HHJUDUMDGPNYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-10-6-5-9(11)13-8-4-7-12-2/h10H,3-8H2,1-2H3.
What are the key properties of 3-methoxypropyl 3-(ethylamino)propanoate?
3-methoxypropyl 3-(ethylamino)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 3-methoxypropyl 3-(ethylamino)propanoate is sourced from PubChem (CID 62327444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).