ethyl 2-(4-aminooxan-4-yl)acetate

C9H17NO3 — CID 79002083

IUPACethyl 2-(4-aminooxan-4-yl)acetate
SMILESCCOC(=O)CC1(N)CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-13-8(11)7-9(10)3-5-12-6-4-9/h2-7,10H2,1H3
InChIKeyDWZYCNFJCACXKW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.45
Rot. Bonds3

About ethyl 2-(4-aminooxan-4-yl)acetate

ethyl 2-(4-aminooxan-4-yl)acetate (PubChem CID 79002083) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 2-(4-aminooxan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-aminooxan-4-yl)acetate
PubChem CID79002083
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 2-(4-aminooxan-4-yl)acetate
SMILESCCOC(=O)CC1(N)CCOCC1
InChIInChI=1S/C9H17NO3/c1-2-13-8(11)7-9(10)3-5-12-6-4-9/h2-7,10H2,1H3
InChIKeyDWZYCNFJCACXKW-UHFFFAOYSA-N
XLogP0.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminooxan-4-yl)acetate?
The IUPAC name of ethyl 2-(4-aminooxan-4-yl)acetate (CID 79002083) is ethyl 2-(4-aminooxan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-aminooxan-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-aminooxan-4-yl)acetate is CCOC(=O)CC1(N)CCOCC1.
What is the InChIKey of ethyl 2-(4-aminooxan-4-yl)acetate?
The InChIKey is DWZYCNFJCACXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-13-8(11)7-9(10)3-5-12-6-4-9/h2-7,10H2,1H3.
What are the key properties of ethyl 2-(4-aminooxan-4-yl)acetate?
ethyl 2-(4-aminooxan-4-yl)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminooxan-4-yl)acetate is sourced from PubChem (CID 79002083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).