5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid

C12H15NO6 — CID 82786310

IUPAC5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ccoc1C)C(=O)O
InChIInChI=1S/C12H15NO6/c1-7-8(5-6-19-7)11(15)13-9(12(16)17)3-4-10(14)18-2/h5-6,9H,3-4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyPLOCSHJKOKKEAD-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.72
Rot. Bonds6

About 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid

5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 82786310) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
PubChem CID82786310
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ccoc1C)C(=O)O
InChIInChI=1S/C12H15NO6/c1-7-8(5-6-19-7)11(15)13-9(12(16)17)3-4-10(14)18-2/h5-6,9H,3-4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyPLOCSHJKOKKEAD-UHFFFAOYSA-N
XLogP0.72
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic 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

(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039288
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]pentanoic acid
CID 81076834
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
(2S)-5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]-5-oxopentanoic acid
CID 107820212
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106500403
5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 82786221
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107981575
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820629
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780822

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid (CID 82786310) is 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)c1ccoc1C)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is PLOCSHJKOKKEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-7-8(5-6-19-7)11(15)13-9(12(16)17)3-4-10(14)18-2/h5-6,9H,3-4H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid?
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 269.25 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 82786310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).