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

C10H20ClNO3 — CID 67519776

IUPACethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride
SMILESCCOC(=O)CCC1(N)CCOCC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-2-14-9(12)3-4-10(11)5-7-13-8-6-10;/h2-8,11H2,1H3;1H
InChIKeyXNAHMBAVWNHQGM-UHFFFAOYSA-N
MW237.73 g/mol
LogP1.26
Rot. Bonds4

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

ethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride (PubChem CID 67519776) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is ethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride
PubChem CID67519776
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Nameethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride
SMILESCCOC(=O)CCC1(N)CCOCC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-2-14-9(12)3-4-10(11)5-7-13-8-6-10;/h2-8,11H2,1H3;1H
InChIKeyXNAHMBAVWNHQGM-UHFFFAOYSA-N
XLogP1.26
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.26
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;hydrochloride?
The IUPAC name of ethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride (CID 67519776) is ethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride.
What is the SMILES notation for ethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride?
The canonical SMILES for ethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride is CCOC(=O)CCC1(N)CCOCC1.Cl.
What is the InChIKey of ethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride?
The InChIKey is XNAHMBAVWNHQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.ClH/c1-2-14-9(12)3-4-10(11)5-7-13-8-6-10;/h2-8,11H2,1H3;1H.
What are the key properties of ethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride?
ethyl 3-(4-aminooxan-4-yl)propanoate;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 1.26, 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;hydrochloride is sourced from PubChem (CID 67519776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).