methyl 4-morpholin-4-ylbutanoate;hydrochloride

C9H18ClNO3 — CID 45261344

IUPACmethyl 4-morpholin-4-ylbutanoate;hydrochloride
SMILESCOC(=O)CCCN1CCOCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-12-9(11)3-2-4-10-5-7-13-8-6-10;/h2-8H2,1H3;1H
InChIKeyIDSYPFXVDONZLJ-UHFFFAOYSA-N
MW223.70 g/mol
LogP0.69
Rot. Bonds4

About methyl 4-morpholin-4-ylbutanoate;hydrochloride

methyl 4-morpholin-4-ylbutanoate;hydrochloride (PubChem CID 45261344) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is methyl 4-morpholin-4-ylbutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-morpholin-4-ylbutanoate;hydrochloride
PubChem CID45261344
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Namemethyl 4-morpholin-4-ylbutanoate;hydrochloride
SMILESCOC(=O)CCCN1CCOCC1.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-12-9(11)3-2-4-10-5-7-13-8-6-10;/h2-8H2,1H3;1H
InChIKeyIDSYPFXVDONZLJ-UHFFFAOYSA-N
XLogP0.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholinebutanoic acid
CID 79872
Ethyl N-trimethyl-gamma-aminobutyrate chloride
CID 85826854
Butyric acid, 4-diethylamino-, ethyl ester
CID 45407
Methyl 3-morpholin-4-ylpropanoate;hydrochloride
CID 12425580
Ethyl 4-(piperidin-1-yl)butanoate
CID 14044356
Methyl 4-(morpholin-4-yl)butanoate--hydrogen chloride (1/1)
CID 44857
Piperidinium, 4-carboxy-1,1-dimethyl-, chloride, 2-(diethylamino)ethyl ester, hydrochloride
CID 24842825
4-Morpholin-4-Yl-Butyric Acid Hydrochloride
CID 12733746
2-Diethylaminoethyl 1-methylpiperidine-4-carboxylate
CID 515605
2-Morpholin-4-ylethyl butanoate
CID 9859056
Methyl 4-morpholinobutanoate
CID 44858
4-Morpholin-4-ylbutyl 2,2-difluoropropanoate
CID 58341555

Frequently Asked Questions

What is the IUPAC name of methyl 4-morpholin-4-ylbutanoate;hydrochloride?
The IUPAC name of methyl 4-morpholin-4-ylbutanoate;hydrochloride (CID 45261344) is methyl 4-morpholin-4-ylbutanoate;hydrochloride.
What is the SMILES notation for methyl 4-morpholin-4-ylbutanoate;hydrochloride?
The canonical SMILES for methyl 4-morpholin-4-ylbutanoate;hydrochloride is COC(=O)CCCN1CCOCC1.Cl.
What is the InChIKey of methyl 4-morpholin-4-ylbutanoate;hydrochloride?
The InChIKey is IDSYPFXVDONZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-12-9(11)3-2-4-10-5-7-13-8-6-10;/h2-8H2,1H3;1H.
What are the key properties of methyl 4-morpholin-4-ylbutanoate;hydrochloride?
methyl 4-morpholin-4-ylbutanoate;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-morpholin-4-ylbutanoate;hydrochloride is sourced from PubChem (CID 45261344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).