2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid

C14H17NO5 — CID 166772200

IUPAC2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(=O)N1CCOCC1CO
InChIInChI=1S/C14H17NO5/c16-8-11-9-20-6-5-15(11)14(19)12-4-2-1-3-10(12)7-13(17)18/h1-4,11,16H,5-9H2,(H,17,18)
InChIKeySFIYLMNOCGYVDG-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.15
Rot. Bonds4

About 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid

2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid (PubChem CID 166772200) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
PubChem CID166772200
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(=O)N1CCOCC1CO
InChIInChI=1S/C14H17NO5/c16-8-11-9-20-6-5-15(11)14(19)12-4-2-1-3-10(12)7-13(17)18/h1-4,11,16H,5-9H2,(H,17,18)
InChIKeySFIYLMNOCGYVDG-UHFFFAOYSA-N
XLogP0.15
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
CID 166772263
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate
CID 156874450
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114373014
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567661
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
CID 146464591
3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile
CID 146567627
2-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzoic acid
CID 106773928

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid (CID 166772200) is 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid is O=C(O)Cc1ccccc1C(=O)N1CCOCC1CO.
What is the InChIKey of 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid?
The InChIKey is SFIYLMNOCGYVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-8-11-9-20-6-5-15(11)14(19)12-4-2-1-3-10(12)7-13(17)18/h1-4,11,16H,5-9H2,(H,17,18).
What are the key properties of 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid?
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid is sourced from PubChem (CID 166772200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).