3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride

C22H30ClNO3 — CID 20978089

IUPAC3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride
SMILESCCC(C)C(C(=O)O)(c1cccc2ccccc12)C(C)N1CCOCC1.Cl
InChIInChI=1S/C22H29NO3.ClH/c1-4-16(2)22(21(24)25,17(3)23-12-14-26-15-13-23)20-11-7-9-18-8-5-6-10-19(18)20;/h5-11,16-17H,4,12-15H2,1-3H3,(H,24,25);1H
InChIKeyABHMGYFMOSUWTB-UHFFFAOYSA-N
MW391.94 g/mol
LogP4.35
Rot. Bonds6

About 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride

3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride (PubChem CID 20978089) has the molecular formula C22H30ClNO3 and a molecular weight of 391.94 g/mol. Its IUPAC name is 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride
PubChem CID20978089
Molecular FormulaC22H30ClNO3
Molecular Weight391.94 g/mol
Exact Mass391.19
IUPAC Name3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride
SMILESCCC(C)C(C(=O)O)(c1cccc2ccccc12)C(C)N1CCOCC1.Cl
InChIInChI=1S/C22H29NO3.ClH/c1-4-16(2)22(21(24)25,17(3)23-12-14-26-15-13-23)20-11-7-9-18-8-5-6-10-19(18)20;/h5-11,16-17H,4,12-15H2,1-3H3,(H,24,25);1H
InChIKeyABHMGYFMOSUWTB-UHFFFAOYSA-N
XLogP4.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride?
The IUPAC name of 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride (CID 20978089) is 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride.
What is the SMILES notation for 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride?
The canonical SMILES for 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride is CCC(C)C(C(=O)O)(c1cccc2ccccc12)C(C)N1CCOCC1.Cl.
What is the InChIKey of 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride?
The InChIKey is ABHMGYFMOSUWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3.ClH/c1-4-16(2)22(21(24)25,17(3)23-12-14-26-15-13-23)20-11-7-9-18-8-5-6-10-19(18)20;/h5-11,16-17H,4,12-15H2,1-3H3,(H,24,25);1H.
What are the key properties of 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride?
3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride has a molecular weight of 391.94 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanoic acid;hydrochloride is sourced from PubChem (CID 20978089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).