5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one

C13H18N2O3 — CID 115060562

IUPAC5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
SMILESNCCC1COCC(=O)N1Cc1cccc(O)c1
InChIInChI=1S/C13H18N2O3/c14-5-4-11-8-18-9-13(17)15(11)7-10-2-1-3-12(16)6-10/h1-3,6,11,16H,4-5,7-9,14H2
InChIKeyNHRUUPKTSLJPDL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.47
Rot. Bonds4

About 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one

5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one (PubChem CID 115060562) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
PubChem CID115060562
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
SMILESNCCC1COCC(=O)N1Cc1cccc(O)c1
InChIInChI=1S/C13H18N2O3/c14-5-4-11-8-18-9-13(17)15(11)7-10-2-1-3-12(16)6-10/h1-3,6,11,16H,4-5,7-9,14H2
InChIKeyNHRUUPKTSLJPDL-UHFFFAOYSA-N
XLogP0.47
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
4-[(3-bromophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102805
6-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060343
2-[5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]acetic acid
CID 115060573
4-[(4-chlorophenyl)methyl]-5-(hydroxymethyl)morpholin-3-one
CID 115102818
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
4-(2-aminoethyl)-3-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060240
5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
CID 115060596
(5S)-5-amino-4-benzylmorpholin-3-one
CID 68600910
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009713
4-benzyl-5-[(3S)-3-naphthalen-1-ylbutyl]morpholin-3-one
CID 149035430
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one?
The IUPAC name of 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one (CID 115060562) is 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one?
The canonical SMILES for 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one is NCCC1COCC(=O)N1Cc1cccc(O)c1.
What is the InChIKey of 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one?
The InChIKey is NHRUUPKTSLJPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-5-4-11-8-18-9-13(17)15(11)7-10-2-1-3-12(16)6-10/h1-3,6,11,16H,4-5,7-9,14H2.
What are the key properties of 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one?
5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one has a molecular weight of 250.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 115060562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).