2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride

C8H16ClNO3 — CID 70684989

IUPAC2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride
SMILESCC[C@@H]1CO[C@@H](CC(=O)O)CN1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-6-5-12-7(4-9-6)3-8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H/t6-,7+;/m1./s1
InChIKeyAFBNQYRNIUQGDJ-HHQFNNIRSA-N
MW209.67 g/mol
LogP0.65
Rot. Bonds3

About 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride

2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride (PubChem CID 70684989) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride
PubChem CID70684989
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride
SMILESCC[C@@H]1CO[C@@H](CC(=O)O)CN1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-6-5-12-7(4-9-6)3-8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H/t6-,7+;/m1./s1
InChIKeyAFBNQYRNIUQGDJ-HHQFNNIRSA-N
XLogP0.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride (CID 70684989) is 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride is CC[C@@H]1CO[C@@H](CC(=O)O)CN1.Cl.
What is the InChIKey of 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride?
The InChIKey is AFBNQYRNIUQGDJ-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-2-6-5-12-7(4-9-6)3-8(10)11;/h6-7,9H,2-5H2,1H3,(H,10,11);1H/t6-,7+;/m1./s1.
What are the key properties of 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride?
2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5R)-5-ethylmorpholin-2-yl]acetic acid;hydrochloride is sourced from PubChem (CID 70684989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).