2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid

C14H19NO4 — CID 66434887

IUPAC2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1cccc(O)c1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H19NO4/c1-10(11-3-2-4-12(16)7-11)15-5-6-19-13(9-15)8-14(17)18/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyNDORWLRHCABDBK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.63
Rot. Bonds4

About 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid

2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid (PubChem CID 66434887) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
PubChem CID66434887
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1cccc(O)c1)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H19NO4/c1-10(11-3-2-4-12(16)7-11)15-5-6-19-13(9-15)8-14(17)18/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyNDORWLRHCABDBK-UHFFFAOYSA-N
XLogP1.63
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-(4-bromophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433752
2-[4-(1-pyridin-2-ylethyl)morpholin-2-yl]acetic acid
CID 66435102
2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66435876
2-[4-[1-(2,5-dichlorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66433750
2-[4-[1-(3-fluorophenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 114834819
2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65068061
2-[4-[3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 119248672
2-[(2R)-4-[(3R)-3-[3-(trifluoromethyl)phenyl]butanoyl]morpholin-2-yl]acetic acid
CID 124692935
2-[4-[1-(2-methoxyphenyl)propan-2-yl]morpholin-2-yl]acetic acid
CID 66433343
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
2-[4-(2,5-dihydroxybenzoyl)morpholin-2-yl]acetic acid
CID 107721729

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid (CID 66434887) is 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid is CC(c1cccc(O)c1)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid?
The InChIKey is NDORWLRHCABDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10(11-3-2-4-12(16)7-11)15-5-6-19-13(9-15)8-14(17)18/h2-4,7,10,13,16H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid?
2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).