3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid

C15H19NO5 — CID 115060369

IUPAC3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid
SMILESCOc1cccc(CN2CC(CCC(=O)O)OCC2=O)c1
InChIInChI=1S/C15H19NO5/c1-20-12-4-2-3-11(7-12)8-16-9-13(5-6-15(18)19)21-10-14(16)17/h2-4,7,13H,5-6,8-10H2,1H3,(H,18,19)
InChIKeyNXFVFVXQPYUMJZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.29
Rot. Bonds6

About 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid

3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid (PubChem CID 115060369) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid
PubChem CID115060369
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid
SMILESCOc1cccc(CN2CC(CCC(=O)O)OCC2=O)c1
InChIInChI=1S/C15H19NO5/c1-20-12-4-2-3-11(7-12)8-16-9-13(5-6-15(18)19)21-10-14(16)17/h2-4,7,13H,5-6,8-10H2,1H3,(H,18,19)
InChIKeyNXFVFVXQPYUMJZ-UHFFFAOYSA-N
XLogP1.29
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid
CID 115060361
1-[(3-methoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708642
(5R)-3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 115056802
3-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124688981
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
CID 115067815
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid?
The IUPAC name of 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid (CID 115060369) is 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid?
The canonical SMILES for 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid is COc1cccc(CN2CC(CCC(=O)O)OCC2=O)c1.
What is the InChIKey of 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid?
The InChIKey is NXFVFVXQPYUMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-12-4-2-3-11(7-12)8-16-9-13(5-6-15(18)19)21-10-14(16)17/h2-4,7,13H,5-6,8-10H2,1H3,(H,18,19).
What are the key properties of 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid?
3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methoxyphenyl)methyl]-5-oxomorpholin-2-yl]propanoic acid is sourced from PubChem (CID 115060369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).