2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid

C13H17NO4 — CID 43803297

IUPAC2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCC(C(=O)O)(c1cccc(O)c1)N1CCOCC1
InChIInChI=1S/C13H17NO4/c1-13(12(16)17,14-5-7-18-8-6-14)10-3-2-4-11(15)9-10/h2-4,9,15H,5-8H2,1H3,(H,16,17)
InChIKeyPERQFFAJTMZNIR-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.02
Rot. Bonds3

About 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid

2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid (PubChem CID 43803297) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid
PubChem CID43803297
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCC(C(=O)O)(c1cccc(O)c1)N1CCOCC1
InChIInChI=1S/C13H17NO4/c1-13(12(16)17,14-5-7-18-8-6-14)10-3-2-4-11(15)9-10/h2-4,9,15H,5-8H2,1H3,(H,16,17)
InChIKeyPERQFFAJTMZNIR-UHFFFAOYSA-N
XLogP1.02
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Hydroxypethidine
CID 61120
Ethyl 2-acetyl-5-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 276584
3-(3-Hydroxy-phenyl)-1-methyl-piperidine-3-carboxylic acid ethyl ester
CID 12686997
1-Allyl-3-(3-hydroxy-phenyl)-piperidine-3-carboxylic acid ethyl ester
CID 12687002
Bemidone
CID 44449583
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, methyl ester
CID 32104
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, isopentyl ester
CID 32105
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, propyl ester
CID 37525
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, butyl ester
CID 37526
1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-2-methyl-, isobutyl ester
CID 37527
2-Ethyl-4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 212044
4,6-Dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 212062

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid (CID 43803297) is 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid is CC(C(=O)O)(c1cccc(O)c1)N1CCOCC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid?
The InChIKey is PERQFFAJTMZNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(12(16)17,14-5-7-18-8-6-14)10-3-2-4-11(15)9-10/h2-4,9,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid?
2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 43803297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).