5-morpholin-4-ylpentanoic acid;hydrochloride

C9H18ClNO3 — CID 13137165

IUPAC5-morpholin-4-ylpentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCN1CCOCC1
InChIInChI=1S/C9H17NO3.ClH/c11-9(12)3-1-2-4-10-5-7-13-8-6-10;/h1-8H2,(H,11,12);1H
InChIKeyYFBYDWZNQOGIMZ-UHFFFAOYSA-N
MW223.70 g/mol
LogP1.00
Rot. Bonds5

About 5-morpholin-4-ylpentanoic acid;hydrochloride

5-morpholin-4-ylpentanoic acid;hydrochloride (PubChem CID 13137165) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is 5-morpholin-4-ylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-morpholin-4-ylpentanoic acid;hydrochloride
PubChem CID13137165
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name5-morpholin-4-ylpentanoic acid;hydrochloride
SMILESCl.O=C(O)CCCCN1CCOCC1
InChIInChI=1S/C9H17NO3.ClH/c11-9(12)3-1-2-4-10-5-7-13-8-6-10;/h1-8H2,(H,11,12);1H
InChIKeyYFBYDWZNQOGIMZ-UHFFFAOYSA-N
XLogP1.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Piperidin-1-yl)pentanoic acid hydrochloride
CID 54592761
Methyl 5-morpholin-4-ylpentanoate;hydrochloride
CID 45261361
1-Piperidinepentanoic acid
CID 13172082
Methyl 5-morpholin-4-ylpentanoate
CID 44333026
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-4-yl]acetic acid
CID 79606640
5,5,5-Trifluoro-3-(2-morpholin-4-ylethyl)pentanoic acid
CID 82534415
5-Morpholin-4-yl-3-(trifluoromethyl)pentanoic acid
CID 82534858
Pentanoic acid, 2-(1-piperidinyl)ethyl ester
CID 12296204
5-(Morpholin-4-yl)pentanoic acid
CID 13137164
5-Morpholin-4-YL-5-oxopentanoic acid
CID 15779948
Ethyl 5-morpholin-4-ylpentanoate
CID 16097789
2-(Morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 17908765

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylpentanoic acid;hydrochloride?
The IUPAC name of 5-morpholin-4-ylpentanoic acid;hydrochloride (CID 13137165) is 5-morpholin-4-ylpentanoic acid;hydrochloride.
What is the SMILES notation for 5-morpholin-4-ylpentanoic acid;hydrochloride?
The canonical SMILES for 5-morpholin-4-ylpentanoic acid;hydrochloride is Cl.O=C(O)CCCCN1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylpentanoic acid;hydrochloride?
The InChIKey is YFBYDWZNQOGIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c11-9(12)3-1-2-4-10-5-7-13-8-6-10;/h1-8H2,(H,11,12);1H.
What are the key properties of 5-morpholin-4-ylpentanoic acid;hydrochloride?
5-morpholin-4-ylpentanoic acid;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylpentanoic acid;hydrochloride is sourced from PubChem (CID 13137165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).