2-morpholin-4-ium-4-ylacetic acid chloride

C6H12ClNO3 — CID 44661721

IUPAC2-morpholin-4-ium-4-ylacetic acid chloride
SMILESO=C(O)C[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C6H11NO3.ClH/c8-6(9)5-7-1-3-10-4-2-7;/h1-5H2,(H,8,9);1H
InChIKeyICGYBJNONRDZOP-UHFFFAOYSA-N
MW181.62 g/mol
LogP-5.01
Rot. Bonds2

About 2-morpholin-4-ium-4-ylacetic acid chloride

2-morpholin-4-ium-4-ylacetic acid chloride (PubChem CID 44661721) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-ylacetic acid chloride.

Molecular Properties

Compound Name2-morpholin-4-ium-4-ylacetic acid chloride
PubChem CID44661721
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name2-morpholin-4-ium-4-ylacetic acid chloride
SMILESO=C(O)C[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C6H11NO3.ClH/c8-6(9)5-7-1-3-10-4-2-7;/h1-5H2,(H,8,9);1H
InChIKeyICGYBJNONRDZOP-UHFFFAOYSA-N
XLogP-5.01
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-5.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Morpholineacetic acid
CID 438968
Morpholin-2-one
CID 19910037
Morpholine, acetate (1:1)
CID 11964105
2-(Morpholin-4-yl)acetic acid hydrochloride
CID 17750946
2-Morpholin-4-ium-4-ylacetate
CID 1616939
4-(Carboxymethyl)-4-methylmorpholin-4-ium chloride
CID 44367147
2-((2-Ethoxy-2-oxoethyl)amino)acetic acid hydrochloride
CID 154878719
2-[(2-Methoxyethyl)amino]acetic acid hydrochloride
CID 54593531
2-{[2-(Morpholin-4-yl)ethyl]amino}acetic acid
CID 28897547
aminoethyl N-2-hydroxyethylglycinate
CID 87170566
Hydron;2-morpholin-4-ylacetic acid;chloride
CID 46911954
2-Morpholin-4-ium-4-ylacetic acid
CID 4872106

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-ylacetic acid chloride?
The IUPAC name of 2-morpholin-4-ium-4-ylacetic acid chloride (CID 44661721) is 2-morpholin-4-ium-4-ylacetic acid chloride.
What is the SMILES notation for 2-morpholin-4-ium-4-ylacetic acid chloride?
The canonical SMILES for 2-morpholin-4-ium-4-ylacetic acid chloride is O=C(O)C[NH+]1CCOCC1.[Cl-].
What is the InChIKey of 2-morpholin-4-ium-4-ylacetic acid chloride?
The InChIKey is ICGYBJNONRDZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c8-6(9)5-7-1-3-10-4-2-7;/h1-5H2,(H,8,9);1H.
What are the key properties of 2-morpholin-4-ium-4-ylacetic acid chloride?
2-morpholin-4-ium-4-ylacetic acid chloride has a molecular weight of 181.62 g/mol, XLogP of -5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-ylacetic acid chloride is sourced from PubChem (CID 44661721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).