2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid

C13H17NO4 — CID 83825429

IUPAC2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCOCC1CO
InChIInChI=1S/C13H17NO4/c15-8-11-9-18-7-6-14(11)12(13(16)17)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)
InChIKeyGLPRAUQGXFMLCE-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.51
Rot. Bonds4

About 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid

2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid (PubChem CID 83825429) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid
PubChem CID83825429
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid
SMILESO=C(O)C(c1ccccc1)N1CCOCC1CO
InChIInChI=1S/C13H17NO4/c15-8-11-9-18-7-6-14(11)12(13(16)17)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)
InChIKeyGLPRAUQGXFMLCE-UHFFFAOYSA-N
XLogP0.51
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylmorpholin-4-yl)-2-phenylacetic acid
CID 43542338
3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
CID 117009393
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
(4-phenylmorpholin-3-yl)methanol
CID 91802000
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
CID 11172721
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 83842677
1-(3-ethylmorpholin-4-yl)-1-phenylpropan-2-amine
CID 55017138
1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
CID 166406225

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid?
The IUPAC name of 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid (CID 83825429) is 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid.
What is the SMILES notation for 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid?
The canonical SMILES for 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid is O=C(O)C(c1ccccc1)N1CCOCC1CO.
What is the InChIKey of 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid?
The InChIKey is GLPRAUQGXFMLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-8-11-9-18-7-6-14(11)12(13(16)17)10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17).
What are the key properties of 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid?
2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid has a molecular weight of 251.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)morpholin-4-yl]-2-phenylacetic acid is sourced from PubChem (CID 83825429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).