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

2-[2-(2-piperidin-1-ylethyl)naphthalen-1-yl]acetic acid;hydrochloride
CID 21127072
3-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxylic acid
CID 82364898
2-[[1-(3-morpholin-4-ylpropyl)naphthalen-2-yl]amino]acetamide
CID 71197681
3-bromo-4-(2-morpholin-4-ylethyl)benzoic acid
CID 70093082
2-(2-pyrrolidin-1-ylethyl)naphthalen-1-ol
CID 174438456
2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 20984124
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
4-[2-[2-(chloromethyl)phenyl]ethyl]morpholine
CID 174531973
4-[3-(2-ethoxynaphthalen-1-yl)propyl]morpholine
CID 170869209
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
2,3-diamino-4-(2-morpholin-4-ylethyl)benzamide
CID 18937435

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).