2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride

C9H18ClNO4 — CID 45259977

IUPAC2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride
SMILESCCC1(CO)COC(CC(=O)O)CN1.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-2-9(5-11)6-14-7(4-10-9)3-8(12)13;/h7,10-11H,2-6H2,1H3,(H,12,13);1H
InChIKeyJEMXAFVEUDOWNT-UHFFFAOYSA-N
MW239.70 g/mol
LogP0.01
Rot. Bonds4

About 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride

2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride (PubChem CID 45259977) has the molecular formula C9H18ClNO4 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride
PubChem CID45259977
Molecular FormulaC9H18ClNO4
Molecular Weight239.70 g/mol
Exact Mass239.09
IUPAC Name2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride
SMILESCCC1(CO)COC(CC(=O)O)CN1.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-2-9(5-11)6-14-7(4-10-9)3-8(12)13;/h7,10-11H,2-6H2,1H3,(H,12,13);1H
InChIKeyJEMXAFVEUDOWNT-UHFFFAOYSA-N
XLogP0.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride (CID 45259977) is 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride is CCC1(CO)COC(CC(=O)O)CN1.Cl.
What is the InChIKey of 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride?
The InChIKey is JEMXAFVEUDOWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4.ClH/c1-2-9(5-11)6-14-7(4-10-9)3-8(12)13;/h7,10-11H,2-6H2,1H3,(H,12,13);1H.
What are the key properties of 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride?
2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-5-(hydroxymethyl)morpholin-2-yl]acetic acid;hydrochloride is sourced from PubChem (CID 45259977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).