2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid

C18H21NO3 — CID 21127043

IUPAC2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid
SMILESO=C(O)Cc1c(CCN2CCOCC2)ccc2ccccc12
InChIInChI=1S/C18H21NO3/c20-18(21)13-17-15(7-8-19-9-11-22-12-10-19)6-5-14-3-1-2-4-16(14)17/h1-6H,7-13H2,(H,20,21)
InChIKeyULXVNDDBPSSMBB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.34
Rot. Bonds5

About 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid

2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid (PubChem CID 21127043) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid
PubChem CID21127043
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid
SMILESO=C(O)Cc1c(CCN2CCOCC2)ccc2ccccc12
InChIInChI=1S/C18H21NO3/c20-18(21)13-17-15(7-8-19-9-11-22-12-10-19)6-5-14-3-1-2-4-16(14)17/h1-6H,7-13H2,(H,20,21)
InChIKeyULXVNDDBPSSMBB-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride
CID 52942690
(3R)-1-[2-[2-(2-phenylphenyl)ethoxy]ethyl]piperidine-3-carboxylic acid
CID 53919761
1-Methyl-4-naphthalen-2-yl-piperidine-4-carboxylic acid ethyl ester
CID 10108661
Ethyl 1-methyl-4-naphthalen-2-ylpiperidine-4-carboxylate;hydrochloride
CID 11427596
2-Piperidin-1-ylethyl 2,2-diphenylpropanoate
CID 45267219
4-Morpholinebutanoic acid, alpha-ethyl-alpha-1-naphthalenyl-, hydrochloride (1:1)
CID 201295
4-(Morpholin-4-yl)-2-(naphthalen-1-yl)butanoic acid--hydrogen chloride (1/1)
CID 201383
1-Piperidinebutyric acid, alpha-1-naphthyl-, hydrochloride
CID 201621
4-Morpholinebutyric acid, alpha-methyl-alpha-1-naphthyl-, hydrochloride
CID 201726
2-Piperidin-1-ylethyl 2-(2-oxo-6-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)propanoate
CID 12398844
Ethylnaphthidate
CID 91844468
2-(Diethylamino)ethyl 2-(naphthalen-1-yl)pent-4-enoate
CID 18585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid (CID 21127043) is 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid is O=C(O)Cc1c(CCN2CCOCC2)ccc2ccccc12.
What is the InChIKey of 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid?
The InChIKey is ULXVNDDBPSSMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c20-18(21)13-17-15(7-8-19-9-11-22-12-10-19)6-5-14-3-1-2-4-16(14)17/h1-6H,7-13H2,(H,20,21).
What are the key properties of 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid?
2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-ylethyl)naphthalen-1-yl]acetic acid is sourced from PubChem (CID 21127043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).