ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate

C17H23NO5 — CID 156874450

IUPACethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1C(=O)N1CCOC[C@H]1CO
InChIInChI=1S/C17H23NO5/c1-2-23-16(20)8-7-13-5-3-4-6-15(13)17(21)18-9-10-22-12-14(18)11-19/h3-6,14,19H,2,7-12H2,1H3/t14-/m1/s1
InChIKeyBMGUTLWGMCKSAX-CQSZACIVSA-N
MW321.37 g/mol
LogP1.02
Rot. Bonds6

About ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate

ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate (PubChem CID 156874450) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate
PubChem CID156874450
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Nameethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate
SMILESCCOC(=O)CCc1ccccc1C(=O)N1CCOC[C@H]1CO
InChIInChI=1S/C17H23NO5/c1-2-23-16(20)8-7-13-5-3-4-6-15(13)17(21)18-9-10-22-12-14(18)11-19/h3-6,14,19H,2,7-12H2,1H3/t14-/m1/s1
InChIKeyBMGUTLWGMCKSAX-CQSZACIVSA-N
XLogP1.02
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
CID 166772263
ethyl 3-[2-[(3R)-3-(hydroxymethyl)thiomorpholine-4-carbonyl]phenyl]propanoate
CID 156874429
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
CID 146464591
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
[2-[2-(methylamino)ethyl]phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774377
2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567611
ethyl 3-benzylmorpholine-4-carboxylate
CID 110749949
2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567661

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate?
The IUPAC name of ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate (CID 156874450) is ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate?
The canonical SMILES for ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate is CCOC(=O)CCc1ccccc1C(=O)N1CCOC[C@H]1CO.
What is the InChIKey of ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate?
The InChIKey is BMGUTLWGMCKSAX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO5/c1-2-23-16(20)8-7-13-5-3-4-6-15(13)17(21)18-9-10-22-12-14(18)11-19/h3-6,14,19H,2,7-12H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate?
ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate has a molecular weight of 321.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate is sourced from PubChem (CID 156874450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).