ethyl 3-aminooxane-4-carboxylate;hydrochloride

C8H16ClNO3 — CID 78166325

IUPACethyl 3-aminooxane-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCOCC1N.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-12-8(10)6-3-4-11-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H
InChIKeyQDMPKNIXADZTMM-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.34
Rot. Bonds2

About ethyl 3-aminooxane-4-carboxylate;hydrochloride

ethyl 3-aminooxane-4-carboxylate;hydrochloride (PubChem CID 78166325) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is ethyl 3-aminooxane-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-aminooxane-4-carboxylate;hydrochloride
PubChem CID78166325
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Nameethyl 3-aminooxane-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCOCC1N.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-12-8(10)6-3-4-11-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H
InChIKeyQDMPKNIXADZTMM-UHFFFAOYSA-N
XLogP0.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R,4S)-3-aminooxane-4-carboxylate
CID 86709000
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ethyl 8-aminocyclooct-4-ene-1-carboxylate;hydrochloride
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ethyl 3-(4-iodophenyl)oxane-4-carboxylate
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methyl (3S,4S)-4-aminooxane-3-carboxylate;hydrochloride
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CID 86708998
ethyl 3-[(3R)-oxolan-3-yl]propanoate
CID 86314190
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
CID 95355404
ethyl 3-aminoazepane-4-carboxylate
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ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 117046512
ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 163993151

Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminooxane-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-aminooxane-4-carboxylate;hydrochloride (CID 78166325) is ethyl 3-aminooxane-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-aminooxane-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-aminooxane-4-carboxylate;hydrochloride is CCOC(=O)C1CCOCC1N.Cl.
What is the InChIKey of ethyl 3-aminooxane-4-carboxylate;hydrochloride?
The InChIKey is QDMPKNIXADZTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-2-12-8(10)6-3-4-11-5-7(6)9;/h6-7H,2-5,9H2,1H3;1H.
What are the key properties of ethyl 3-aminooxane-4-carboxylate;hydrochloride?
ethyl 3-aminooxane-4-carboxylate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-aminooxane-4-carboxylate;hydrochloride is sourced from PubChem (CID 78166325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).