2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid

C14H17NO5 — CID 117447646

IUPAC2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
SMILESCOc1ccc(C(=O)C(=O)O)cc1CN1CCOCC1
InChIInChI=1S/C14H17NO5/c1-19-12-3-2-10(13(16)14(17)18)8-11(12)9-15-4-6-20-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18)
InChIKeyZQSKAKVEFDFIFK-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.79
Rot. Bonds5

About 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid

2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid (PubChem CID 117447646) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
PubChem CID117447646
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
SMILESCOc1ccc(C(=O)C(=O)O)cc1CN1CCOCC1
InChIInChI=1S/C14H17NO5/c1-19-12-3-2-10(13(16)14(17)18)8-11(12)9-15-4-6-20-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18)
InChIKeyZQSKAKVEFDFIFK-UHFFFAOYSA-N
XLogP0.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206
4-methoxy-N-(4-methylsulfonylphenyl)sulfonyl-3-(morpholin-4-ylmethyl)benzamide
CID 110166858
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
ethyl 2-hydroxy-2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]acetate
CID 117494133
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-methoxybenzoic acid
CID 62019164
2-(5-acetyl-2-methoxyphenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446019

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid?
The IUPAC name of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid (CID 117447646) is 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid?
The canonical SMILES for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid is COc1ccc(C(=O)C(=O)O)cc1CN1CCOCC1.
What is the InChIKey of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid?
The InChIKey is ZQSKAKVEFDFIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-19-12-3-2-10(13(16)14(17)18)8-11(12)9-15-4-6-20-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid?
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid has a molecular weight of 279.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid is sourced from PubChem (CID 117447646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).