hydron;2-morpholin-4-ylacetic acid;chloride

C6H12ClNO3 — CID 46911954

IUPAChydron;2-morpholin-4-ylacetic acid;chloride
SMILESO=C(O)CN1CCOCC1.[Cl-].[H+]
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-3.48
Rot. Bonds2

About hydron;2-morpholin-4-ylacetic acid;chloride

hydron;2-morpholin-4-ylacetic acid;chloride (PubChem CID 46911954) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is hydron;2-morpholin-4-ylacetic acid;chloride.

Molecular Properties

Compound Namehydron;2-morpholin-4-ylacetic acid;chloride
PubChem CID46911954
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Namehydron;2-morpholin-4-ylacetic acid;chloride
SMILESO=C(O)CN1CCOCC1.[Cl-].[H+]
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-3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-3.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholineacetic acid
CID 438968
4,4-Diethyl-2-oxomorpholin-4-ium chloride
CID 200862
Methyl Morpholinoacetate
CID 1268178
2-(4-Methylmorpholin-4-ium-4-yl)acetate
CID 5249656
Ethyl 2-Morpholinoacetate
CID 2734105
Morpholine, 4-methyl-, acetate (1:1)
CID 44149666
2-(Morpholin-4-yl)acetic acid hydrochloride
CID 17750946
4-(Carboxymethyl)-4-methylmorpholin-4-ium chloride
CID 44367147
Ethyl morpholinoacetate hydrochloride
CID 45264830
2-(Morpholin-4-yl)propanoic acid hydrochloride
CID 43810774
Methyl morpholine-4-acetate hydrochloride
CID 44119789
(2S)-2-(morpholin-4-yl)propanoic acid hydrochloride
CID 102594511

Frequently Asked Questions

What is the IUPAC name of hydron;2-morpholin-4-ylacetic acid;chloride?
The IUPAC name of hydron;2-morpholin-4-ylacetic acid;chloride (CID 46911954) is hydron;2-morpholin-4-ylacetic acid;chloride.
What is the SMILES notation for hydron;2-morpholin-4-ylacetic acid;chloride?
The canonical SMILES for hydron;2-morpholin-4-ylacetic acid;chloride is O=C(O)CN1CCOCC1.[Cl-].[H+].
What is the InChIKey of hydron;2-morpholin-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 hydron;2-morpholin-4-ylacetic acid;chloride?
hydron;2-morpholin-4-ylacetic acid;chloride has a molecular weight of 181.62 g/mol, XLogP of -3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-morpholin-4-ylacetic acid;chloride is sourced from PubChem (CID 46911954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).