5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid

C13H21NO5 — CID 82786213

IUPAC5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)C1(C)CCCC1)C(=O)O
InChIInChI=1S/C13H21NO5/c1-13(7-3-4-8-13)12(18)14-9(11(16)17)5-6-10(15)19-2/h9H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXILUNWKEEYEEFD-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.09
Rot. Bonds6

About 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid

5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid (PubChem CID 82786213) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
PubChem CID82786213
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)C1(C)CCCC1)C(=O)O
InChIInChI=1S/C13H21NO5/c1-13(7-3-4-8-13)12(18)14-9(11(16)17)5-6-10(15)19-2/h9H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyXILUNWKEEYEEFD-UHFFFAOYSA-N
XLogP1.09
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid (CID 82786213) is 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)C1(C)CCCC1)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid?
The InChIKey is XILUNWKEEYEEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-13(7-3-4-8-13)12(18)14-9(11(16)17)5-6-10(15)19-2/h9H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid?
5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid has a molecular weight of 271.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(1-methylcyclopentanecarbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 82786213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).