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

C15H19NO5 — CID 166772263

IUPAC3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1C(=O)N1CCOC[C@H]1CO
InChIInChI=1S/C15H19NO5/c17-9-12-10-21-8-7-16(12)15(20)13-4-2-1-3-11(13)5-6-14(18)19/h1-4,12,17H,5-10H2,(H,18,19)/t12-/m1/s1
InChIKeyRZCGNPVANUXWJO-GFCCVEGCSA-N
MW293.32 g/mol
LogP0.54
Rot. Bonds5

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

3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid (PubChem CID 166772263) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
PubChem CID166772263
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1C(=O)N1CCOC[C@H]1CO
InChIInChI=1S/C15H19NO5/c17-9-12-10-21-8-7-16(12)15(20)13-4-2-1-3-11(13)5-6-14(18)19/h1-4,12,17H,5-10H2,(H,18,19)/t12-/m1/s1
InChIKeyRZCGNPVANUXWJO-GFCCVEGCSA-N
XLogP0.54
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate
CID 156874450
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114373014
[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774377
3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile
CID 146567627
(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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid (CID 166772263) is 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid is O=C(O)CCc1ccccc1C(=O)N1CCOC[C@H]1CO.
What is the InChIKey of 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid?
The InChIKey is RZCGNPVANUXWJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19NO5/c17-9-12-10-21-8-7-16(12)15(20)13-4-2-1-3-11(13)5-6-14(18)19/h1-4,12,17H,5-10H2,(H,18,19)/t12-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid?
3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid is sourced from PubChem (CID 166772263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).