4-morpholin-4-ylbutanoic acid;hydrochloride

C8H16ClNO3 — CID 12733746

IUPAC4-morpholin-4-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1CCOCC1
InChIInChI=1S/C8H15NO3.ClH/c10-8(11)2-1-3-9-4-6-12-7-5-9;/h1-7H2,(H,10,11);1H
InChIKeyGQWYWIYUQZVZAV-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.61
Rot. Bonds4

About 4-morpholin-4-ylbutanoic acid;hydrochloride

4-morpholin-4-ylbutanoic acid;hydrochloride (PubChem CID 12733746) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 4-morpholin-4-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-morpholin-4-ylbutanoic acid;hydrochloride
PubChem CID12733746
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name4-morpholin-4-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1CCOCC1
InChIInChI=1S/C8H15NO3.ClH/c10-8(11)2-1-3-9-4-6-12-7-5-9;/h1-7H2,(H,10,11);1H
InChIKeyGQWYWIYUQZVZAV-UHFFFAOYSA-N
XLogP0.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Morpholinebutanoic acid
CID 79872
1-(2-Methoxyethyl)piperidine-4-carboxylic acid hydrochloride
CID 45075032
Methyl 4-morpholin-4-ylbutanoate;hydrochloride
CID 45261344
2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium
CID 3081011
2,2-Difluoro-4-(morpholin-4-yl)butanoic acid hydrochloride
CID 167725358
Methyl 4-morpholinobutanoate
CID 44858
2-[4-(3-Fluoropropyl)morpholin-2-yl]acetic acid
CID 81113886
3-Fluoro-4-morpholin-4-ylbutanoic acid
CID 105444766
3-Fluoro-3-methyl-4-morpholin-4-ylbutanoic acid
CID 105457212
3,3-Difluoro-4-(morpholin-4-yl)butanoic acid
CID 105462602
2,2-Difluoro-4-(morpholin-4-yl)butanoic acid
CID 165632502
Ethyl 4-(2,6-Dimethyl-4-morpholinyl)butyrate
CID 13191868

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbutanoic acid;hydrochloride?
The IUPAC name of 4-morpholin-4-ylbutanoic acid;hydrochloride (CID 12733746) is 4-morpholin-4-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 4-morpholin-4-ylbutanoic acid;hydrochloride?
The canonical SMILES for 4-morpholin-4-ylbutanoic acid;hydrochloride is Cl.O=C(O)CCCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbutanoic acid;hydrochloride?
The InChIKey is GQWYWIYUQZVZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c10-8(11)2-1-3-9-4-6-12-7-5-9;/h1-7H2,(H,10,11);1H.
What are the key properties of 4-morpholin-4-ylbutanoic acid;hydrochloride?
4-morpholin-4-ylbutanoic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 12733746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).