4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid

C19H17NO5 — CID 119357933

IUPAC4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCOC(C(=O)O)C2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H17NO5/c1-11-13-7-6-12-4-2-3-5-14(12)17(13)25-16(11)18(21)20-8-9-24-15(10-20)19(22)23/h2-7,15H,8-10H2,1H3,(H,22,23)
InChIKeyTXRMYZVYCNKZHA-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.82
Rot. Bonds2

About 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid

4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid (PubChem CID 119357933) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid
PubChem CID119357933
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCOC(C(=O)O)C2)oc2c1ccc1ccccc12
InChIInChI=1S/C19H17NO5/c1-11-13-7-6-12-4-2-3-5-14(12)17(13)25-16(11)18(21)20-8-9-24-15(10-20)19(22)23/h2-7,15H,8-10H2,1H3,(H,22,23)
InChIKeyTXRMYZVYCNKZHA-UHFFFAOYSA-N
XLogP2.82
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4,7-trimethyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239343
2-[(2S)-4-(3,7-dimethyl-1-benzofuran-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697653
(4-ethylpiperazin-4-ium-1-yl)-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
CID 9070915
(2S)-4-(5-chloro-3-methyl-1-benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 129415258
4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid
CID 119238690
(3-methylbenzo[g][1]benzofuran-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30832793
(2S)-4-(5-ethyl-3-methylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 124685287
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
(3-methylbenzo[g][1]benzofuran-2-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 71904388
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone
CID 7494612
(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
CID 124698148
methyl 1-[1-(3-methylbenzo[g][1]benzofuran-2-carbonyl)pyrrolidin-3-yl]triazole-4-carboxylate
CID 75456934

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid (CID 119357933) is 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid is Cc1c(C(=O)N2CCOC(C(=O)O)C2)oc2c1ccc1ccccc12.
What is the InChIKey of 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is TXRMYZVYCNKZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11-13-7-6-12-4-2-3-5-14(12)17(13)25-16(11)18(21)20-8-9-24-15(10-20)19(22)23/h2-7,15H,8-10H2,1H3,(H,22,23).
What are the key properties of 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid?
4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119357933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).