ethyl 3-(oxan-3-ylamino)propanoate

C10H19NO3 — CID 63363910

IUPACethyl 3-(oxan-3-ylamino)propanoate
SMILESCCOC(=O)CCNC1CCCOC1
InChIInChI=1S/C10H19NO3/c1-2-14-10(12)5-6-11-9-4-3-7-13-8-9/h9,11H,2-8H2,1H3
InChIKeyDQDVJFDZZOKPHN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds5

About ethyl 3-(oxan-3-ylamino)propanoate

ethyl 3-(oxan-3-ylamino)propanoate (PubChem CID 63363910) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 3-(oxan-3-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(oxan-3-ylamino)propanoate
PubChem CID63363910
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 3-(oxan-3-ylamino)propanoate
SMILESCCOC(=O)CCNC1CCCOC1
InChIInChI=1S/C10H19NO3/c1-2-14-10(12)5-6-11-9-4-3-7-13-8-9/h9,11H,2-8H2,1H3
InChIKeyDQDVJFDZZOKPHN-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(oxan-3-ylamino)propanoate?
The IUPAC name of ethyl 3-(oxan-3-ylamino)propanoate (CID 63363910) is ethyl 3-(oxan-3-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(oxan-3-ylamino)propanoate?
The canonical SMILES for ethyl 3-(oxan-3-ylamino)propanoate is CCOC(=O)CCNC1CCCOC1.
What is the InChIKey of ethyl 3-(oxan-3-ylamino)propanoate?
The InChIKey is DQDVJFDZZOKPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-10(12)5-6-11-9-4-3-7-13-8-9/h9,11H,2-8H2,1H3.
What are the key properties of ethyl 3-(oxan-3-ylamino)propanoate?
ethyl 3-(oxan-3-ylamino)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(oxan-3-ylamino)propanoate is sourced from PubChem (CID 63363910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).