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

C11H12ClNO6 — CID 106683604

IUPAC2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C11H12ClNO6/c1-18-8(14)3-2-7(11(16)17)13-10(15)6-4-5-19-9(6)12/h4-5,7H,2-3H2,1H3,(H,13,15)(H,16,17)
InChIKeyLTKQOHLNIVQZQJ-UHFFFAOYSA-N
MW289.67 g/mol
LogP1.07
Rot. Bonds6

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

2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 106683604) has the molecular formula C11H12ClNO6 and a molecular weight of 289.67 g/mol. Its IUPAC name is 2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID106683604
Molecular FormulaC11H12ClNO6
Molecular Weight289.67 g/mol
Exact Mass289.04
IUPAC Name2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ccoc1Cl)C(=O)O
InChIInChI=1S/C11H12ClNO6/c1-18-8(14)3-2-7(11(16)17)13-10(15)6-4-5-19-9(6)12/h4-5,7H,2-3H2,1H3,(H,13,15)(H,16,17)
InChIKeyLTKQOHLNIVQZQJ-UHFFFAOYSA-N
XLogP1.07
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106500403
(2S)-5-ethoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 107039288
(2S)-5-methoxy-2-[(3-methylfuran-2-carbonyl)amino]-5-oxopentanoic acid
CID 107820212
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820649
5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 82786221
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2S)-2-[(6-chloropyridine-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820235
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (CID 106683604) is 2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)c1ccoc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is LTKQOHLNIVQZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO6/c1-18-8(14)3-2-7(11(16)17)13-10(15)6-4-5-19-9(6)12/h4-5,7H,2-3H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 289.67 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 106683604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).