2-methyl-4-morpholin-4-ylbutanoate;hydrochloride

C9H17ClNO3- — CID 23621496

IUPAC2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
SMILESCC(CCN1CCOCC1)C(=O)[O-].Cl
InChIInChI=1S/C9H17NO3.ClH/c1-8(9(11)12)2-3-10-4-6-13-7-5-10;/h8H,2-7H2,1H3,(H,11,12);1H/p-1
InChIKeyARFRAIBHCHKQOP-UHFFFAOYSA-M
MW222.69 g/mol
LogP-0.48
Rot. Bonds4

About 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride

2-methyl-4-morpholin-4-ylbutanoate;hydrochloride (PubChem CID 23621496) has the molecular formula C9H17ClNO3- and a molecular weight of 222.69 g/mol. Its IUPAC name is 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
PubChem CID23621496
Molecular FormulaC9H17ClNO3-
Molecular Weight222.69 g/mol
Exact Mass222.09
IUPAC Name2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
SMILESCC(CCN1CCOCC1)C(=O)[O-].Cl
InChIInChI=1S/C9H17NO3.ClH/c1-8(9(11)12)2-3-10-4-6-13-7-5-10;/h8H,2-7H2,1H3,(H,11,12);1H/p-1
InChIKeyARFRAIBHCHKQOP-UHFFFAOYSA-M
XLogP-0.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.69
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722
2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
methyl (2S)-2-(chloroamino)-4-morpholin-4-ylbutanoate
CID 59414204
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
4-[(3S)-3-methylpentyl]morpholine
CID 167092878
(Z,5S)-3,5-dimethyl-8-morpholin-4-yloct-2-en-4-one
CID 165399164
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
2-(2-morpholin-4-ylethyl)-3-propan-2-ylbut-2-enedioic acid
CID 154077862
(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
CID 165399162
4-(1,4-oxazepan-4-yl)-2-(propylamino)butanoic acid
CID 55142794
potassium (2S)-2-[(2-morpholin-4-ylacetyl)amino]propanoate
CID 131737033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride?
The IUPAC name of 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride (CID 23621496) is 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride.
What is the SMILES notation for 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride?
The canonical SMILES for 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride is CC(CCN1CCOCC1)C(=O)[O-].Cl.
What is the InChIKey of 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride?
The InChIKey is ARFRAIBHCHKQOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17NO3.ClH/c1-8(9(11)12)2-3-10-4-6-13-7-5-10;/h8H,2-7H2,1H3,(H,11,12);1H/p-1.
What are the key properties of 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride?
2-methyl-4-morpholin-4-ylbutanoate;hydrochloride has a molecular weight of 222.69 g/mol, XLogP of -0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-morpholin-4-ylbutanoate;hydrochloride is sourced from PubChem (CID 23621496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).