ethyl 3-(4-aminooxan-4-yl)propanoate

C10H19NO3 — CID 59718835

IUPACethyl 3-(4-aminooxan-4-yl)propanoate
SMILESCCOC(=O)CCC1(N)CCOCC1
InChIInChI=1S/C10H19NO3/c1-2-14-9(12)3-4-10(11)5-7-13-8-6-10/h2-8,11H2,1H3
InChIKeyCQHUDGVFQSKRPS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.84
Rot. Bonds4

About ethyl 3-(4-aminooxan-4-yl)propanoate

ethyl 3-(4-aminooxan-4-yl)propanoate (PubChem CID 59718835) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 3-(4-aminooxan-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-aminooxan-4-yl)propanoate
PubChem CID59718835
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 3-(4-aminooxan-4-yl)propanoate
SMILESCCOC(=O)CCC1(N)CCOCC1
InChIInChI=1S/C10H19NO3/c1-2-14-9(12)3-4-10(11)5-7-13-8-6-10/h2-8,11H2,1H3
InChIKeyCQHUDGVFQSKRPS-UHFFFAOYSA-N
XLogP0.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-aminooxan-4-yl)propanoate?
The IUPAC name of ethyl 3-(4-aminooxan-4-yl)propanoate (CID 59718835) is ethyl 3-(4-aminooxan-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(4-aminooxan-4-yl)propanoate?
The canonical SMILES for ethyl 3-(4-aminooxan-4-yl)propanoate is CCOC(=O)CCC1(N)CCOCC1.
What is the InChIKey of ethyl 3-(4-aminooxan-4-yl)propanoate?
The InChIKey is CQHUDGVFQSKRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-9(12)3-4-10(11)5-7-13-8-6-10/h2-8,11H2,1H3.
What are the key properties of ethyl 3-(4-aminooxan-4-yl)propanoate?
ethyl 3-(4-aminooxan-4-yl)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-aminooxan-4-yl)propanoate is sourced from PubChem (CID 59718835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).