methyl 5-morpholin-4-ylpentanoate;hydrochloride

C10H20ClNO3 — CID 45261361

IUPACmethyl 5-morpholin-4-ylpentanoate;hydrochloride
SMILESCOC(=O)CCCCN1CCOCC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-13-10(12)4-2-3-5-11-6-8-14-9-7-11;/h2-9H2,1H3;1H
InChIKeyXHDRJZMICVWRIU-UHFFFAOYSA-N
MW237.73 g/mol
LogP1.08
Rot. Bonds5

About methyl 5-morpholin-4-ylpentanoate;hydrochloride

methyl 5-morpholin-4-ylpentanoate;hydrochloride (PubChem CID 45261361) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is methyl 5-morpholin-4-ylpentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-morpholin-4-ylpentanoate;hydrochloride
PubChem CID45261361
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Namemethyl 5-morpholin-4-ylpentanoate;hydrochloride
SMILESCOC(=O)CCCCN1CCOCC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-13-10(12)4-2-3-5-11-6-8-14-9-7-11;/h2-9H2,1H3;1H
InChIKeyXHDRJZMICVWRIU-UHFFFAOYSA-N
XLogP1.08
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Valeric acid, 2,2-dimethyl-, 2-piperidinoethyl ester, hydrochloride
CID 212593
5-Morpholin-4-ylpentyl 2,2-difluoropropanoate
CID 118048087
Methyl 4-keto-5-morpholino valerate
CID 567727
Ethyl 5-morpholin-4-yl-5-oxopentanoate
CID 12417235
5-Methyl-5-(morpholin-4-ylmethyl)oxolan-2-one
CID 134967586
2-(1,1-Dimethylpiperidin-1-ium-3-carbonyl)oxyethyl-trimethylazanium
CID 3065836
Methyl 5-morpholin-4-ylpentanoate
CID 44333026
5-[(4-Methylpiperazin-1-yl)methyl]oxolan-2-one
CID 5230385
Ethyl 2-(1-ethylpiperidin-4-yl)acetate
CID 10104218
Ethyl 2-(1-methylpiperidin-4-yl)acetate
CID 11819748
Butanoic acid, 2-(1-piperidinyl)ethyl ester
CID 12296202
Pentanoic acid, 2-(1-piperidinyl)ethyl ester
CID 12296204

Frequently Asked Questions

What is the IUPAC name of methyl 5-morpholin-4-ylpentanoate;hydrochloride?
The IUPAC name of methyl 5-morpholin-4-ylpentanoate;hydrochloride (CID 45261361) is methyl 5-morpholin-4-ylpentanoate;hydrochloride.
What is the SMILES notation for methyl 5-morpholin-4-ylpentanoate;hydrochloride?
The canonical SMILES for methyl 5-morpholin-4-ylpentanoate;hydrochloride is COC(=O)CCCCN1CCOCC1.Cl.
What is the InChIKey of methyl 5-morpholin-4-ylpentanoate;hydrochloride?
The InChIKey is XHDRJZMICVWRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.ClH/c1-13-10(12)4-2-3-5-11-6-8-14-9-7-11;/h2-9H2,1H3;1H.
What are the key properties of methyl 5-morpholin-4-ylpentanoate;hydrochloride?
methyl 5-morpholin-4-ylpentanoate;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-morpholin-4-ylpentanoate;hydrochloride is sourced from PubChem (CID 45261361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).