4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride

C10H20ClNO3 — CID 66589984

IUPAC4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride
SMILESCC(C)CC(C(=O)O)N1CCOCC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-8(2)7-9(10(12)13)11-3-5-14-6-4-11;/h8-9H,3-7H2,1-2H3,(H,12,13);1H
InChIKeyHBCWEBWRZCWDLB-UHFFFAOYSA-N
MW237.73 g/mol
LogP1.24
Rot. Bonds4

About 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride

4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride (PubChem CID 66589984) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride
PubChem CID66589984
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Name4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride
SMILESCC(C)CC(C(=O)O)N1CCOCC1.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-8(2)7-9(10(12)13)11-3-5-14-6-4-11;/h8-9H,3-7H2,1-2H3,(H,12,13);1H
InChIKeyHBCWEBWRZCWDLB-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride?
The IUPAC name of 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride (CID 66589984) is 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride.
What is the SMILES notation for 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride?
The canonical SMILES for 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride is CC(C)CC(C(=O)O)N1CCOCC1.Cl.
What is the InChIKey of 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride?
The InChIKey is HBCWEBWRZCWDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.ClH/c1-8(2)7-9(10(12)13)11-3-5-14-6-4-11;/h8-9H,3-7H2,1-2H3,(H,12,13);1H.
What are the key properties of 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride?
4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-ylpentanoic acid;hydrochloride is sourced from PubChem (CID 66589984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).